diff --git a/mzLib/Readers/ExternalResults/IndividualResultRecords/MsFraggerPsm.cs b/mzLib/Readers/ExternalResults/IndividualResultRecords/MsFraggerPsm.cs index e5272a779..5d1169521 100644 --- a/mzLib/Readers/ExternalResults/IndividualResultRecords/MsFraggerPsm.cs +++ b/mzLib/Readers/ExternalResults/IndividualResultRecords/MsFraggerPsm.cs @@ -46,7 +46,7 @@ public class MsFraggerPsm : IQuantifiableRecord public int Charge { get; set; } [Name("Retention")] - public double RetentionTime { get; set; } + public double RetentionTimeSeconds { get; set; } [Name("Observed Mass")] public double ObservedMass { get; set; } @@ -146,11 +146,13 @@ public class MsFraggerPsm : IQuantifiableRecord [Ignore] public int OneBasedScanNumber => _oneBasedScanNumber ??= int.Parse(Spectrum.Split('.')[1]); + [Ignore] public double RetentionTime => RetentionTimeSeconds / 60.0; + #endregion #region IQuantifiableRecord Implementation - [Ignore] public string FileName => SpectrumFilePath; + [Ignore] public string FileName => FileNameWithoutExtension; [Ignore] public List<(string, string, string)> ProteinGroupInfos { diff --git a/mzLib/Readers/InternalResults/IndividualResultRecords/SpectrumMatchFromTsv.cs b/mzLib/Readers/InternalResults/IndividualResultRecords/SpectrumMatchFromTsv.cs index 3cace4f55..409a86189 100644 --- a/mzLib/Readers/InternalResults/IndividualResultRecords/SpectrumMatchFromTsv.cs +++ b/mzLib/Readers/InternalResults/IndividualResultRecords/SpectrumMatchFromTsv.cs @@ -169,8 +169,8 @@ protected SpectrumMatchFromTsv(string line, char[] split, Dictionary results = ms.Results.Select(psm => psm.FileName).ToList(); + List results = ms.Results.Select(psm => psm.SpectrumFilePath).ToList(); NUnit.Framework.Assert.That(results.Count(s => s.Contains("A_1")).Equals(4)); NUnit.Framework.Assert.That(results.Count(s => s.Contains("A_2")).Equals(4)); diff --git a/mzLib/Test/FileReadingTests/TestMsFraggerResultFiles.cs b/mzLib/Test/FileReadingTests/TestMsFraggerResultFiles.cs index 46376715b..1a377477e 100644 --- a/mzLib/Test/FileReadingTests/TestMsFraggerResultFiles.cs +++ b/mzLib/Test/FileReadingTests/TestMsFraggerResultFiles.cs @@ -100,7 +100,7 @@ public void TestMsFraggerPsmFirstAndLastCorrect() Assert.That(first.NextAminoAcid, Is.EqualTo('K')); Assert.That(first.PeptideLength, Is.EqualTo(7)); Assert.That(first.Charge, Is.EqualTo(2)); - Assert.That(first.RetentionTime, Is.EqualTo(1.9398)); + Assert.That(first.RetentionTime, Is.EqualTo(0.03233).Within(0.0001)); Assert.That(first.ObservedMass, Is.EqualTo(669.4164)); Assert.That(first.CalibratedObservedMass, Is.EqualTo(669.4123)); Assert.That(first.ObservedMz, Is.EqualTo(335.7155)); @@ -141,7 +141,7 @@ public void TestMsFraggerPsmFirstAndLastCorrect() Assert.That(last.NextAminoAcid, Is.EqualTo('V')); Assert.That(last.PeptideLength, Is.EqualTo(7)); Assert.That(last.Charge, Is.EqualTo(2)); - Assert.That(last.RetentionTime, Is.EqualTo(19.114)); + Assert.That(last.RetentionTime, Is.EqualTo(0.3186).Within(0.0001)); Assert.That(last.ObservedMass, Is.EqualTo(724.3984)); Assert.That(last.CalibratedObservedMass, Is.EqualTo (724.3949)); diff --git a/mzLib/Test/FileReadingTests/TestPsmFromTsv.cs b/mzLib/Test/FileReadingTests/TestPsmFromTsv.cs index 1ff849337..80703873f 100644 --- a/mzLib/Test/FileReadingTests/TestPsmFromTsv.cs +++ b/mzLib/Test/FileReadingTests/TestPsmFromTsv.cs @@ -10,6 +10,7 @@ using Readers; using MzLibUtil; using FlashLFQ; +using Easy.Common.Extensions; namespace Test.FileReadingTests { @@ -133,6 +134,10 @@ public static void TestPsmFromTsvDisambiguatingConstructor() List psms = SpectrumMatchTsvReader.ReadPsmTsv(psmTsvPath, out warnings); PsmFromTsv psm = psms.First(); + // assert that in 1st elt PEP and PEP_Q values exists and are less than one + Assert.That(psm.PEP, Is.LessThan(1.0)); + Assert.That(psm.PEP_QValue, Is.LessThan(1.0)); + // non ambiguous construction should not be successful string fullSeq = psm.FullSequence; fullSeq = fullSeq.Substring(0, fullSeq.Length - 1); @@ -193,6 +198,19 @@ public static void TestPsmFromTsvDisambiguatingConstructor() } } + [Test] + public static void TestIncompletePsmFile() + { + string psmTsvPath = Path.Combine(TestContext.CurrentContext.TestDirectory, @"FileReadingTests\SearchResults\AllPSMs2.psmtsv"); + List warnings = new(); + List psms = SpectrumMatchTsvReader.ReadPsmTsv(psmTsvPath, out warnings); + PsmFromTsv psm = psms.First(); + + Assert.That(psm.PEP, Is.NaN); + Assert.That(psm.PEP_QValue, Is.NaN); + Assert.That(psm.RetentionTime, Is.EqualTo(-1)); + } + [Test] public static void TestParseModification() { diff --git a/mzLib/Test/Test.csproj b/mzLib/Test/Test.csproj index 78b147b59..d76f418b0 100644 --- a/mzLib/Test/Test.csproj +++ b/mzLib/Test/Test.csproj @@ -502,6 +502,9 @@ Always + + Always + PreserveNewest diff --git a/mzLib/TestFlashLFQ/TestData/AllPSMs2.psmtsv b/mzLib/TestFlashLFQ/TestData/AllPSMs2.psmtsv new file mode 100644 index 000000000..f677339fe --- /dev/null +++ b/mzLib/TestFlashLFQ/TestData/AllPSMs2.psmtsv @@ -0,0 +1,90 @@ +File Name Scan Number Scan Retention Time Num Experimental Peaks Total Ion Current Precursor Scan Number Precursor Charge Precursor MZ Precursor Mass Score Delta Score Notch Base Sequence Full Sequence Essential Sequence PSM Count (unambiguous, <0.01 q-value) Mods Mods Chemical Formulas Mods Combined Chemical Formula Num Variable Mods Missed Cleavages Peptide Monoisotopic Mass Mass Diff (Da) Mass Diff (ppm) Protein Accession Protein Name Gene Name Organism Name Intersecting Sequence Variations Identified Sequence Variations Splice Sites Contaminant Decoy Peptide Description Start and End Residues In Protein Previous Amino Acid Next Amino Acid All Scores Theoreticals Searched Decoy/Contaminant/Target Matched Ion Series Matched Ion Mass-To-Charge Ratios Matched Ion Mass Diff (Da) Matched Ion Mass Diff (Ppm) Matched Ion Intensities Matched Ion Counts Localized Scores Improvement Possible Cumulative Target Cumulative Decoy QValue Cumulative Target Notch Cumulative Decoy Notch QValue Notch eValue eScore +SmallCalibratible_Yeast 119 24.80555 177.00000 3491611.00000 117 2.00000 549.79791 1097.58127 18.268 11.222 0 KAPAGGAADAAAK KAPAGGAADAAAK KAPAGGAADAAAK 1 0 1 1097.58292 -0.00165 -1.50 P46672 tRNA-aminoacylation cofactor ARC1 primary:ARC1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [135 to 147] K A T [b1+1, b2+1, b9+1, b10+1, b11+1, b12+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+1, y9+1, y10+1, y11+1, y12+1] [b1+1:129.10201, b2+1:200.13925, b9+1:739.37408, b10+1:810.41467, b11+1:881.44910, b12+1:952.47064];[y1+1:147.11266, y2+1:218.14967, y3+1:289.18646, y4+1:360.22382, y5+1:475.25076, y6+1:546.28760, y7+1:617.32208, y8+1:674.34607, y9+1:731.36835, y10+1:802.40509, y11+1:899.45734, y12+1:970.49512] [b1+1:-0.00023, b2+1:-0.00010, b9+1:0.00076, b10+1:0.00423, b11+1:0.00154, b12+1:-0.01403];[y1+1:-0.00015, y2+1:-0.00024, y3+1:-0.00057, y4+1:-0.00033, y5+1:-0.00033, y6+1:-0.00060, y7+1:-0.00323, y8+1:-0.00071, y9+1:0.00010, y10+1:-0.00027, y11+1:-0.00078, y12+1:-0.00012] [b1+1:-1.83, b2+1:-0.51, b9+1:1.02, b10+1:5.23, b11+1:1.75, b12+1:-14.74];[y1+1:-1.02, y2+1:-1.13, y3+1:-1.98, y4+1:-0.92, y5+1:-0.69, y6+1:-1.11, y7+1:-5.25, y8+1:-1.06, y9+1:0.14, y10+1:-0.33, y11+1:-0.87, y12+1:-0.12] [b1+1:285171, b2+1:24975, b9+1:11674, b10+1:8927, b11+1:9970, b12+1:3488];[y1+1:113177, y2+1:43586, y3+1:21614, y4+1:40917, y5+1:18206, y6+1:17423, y7+1:8917, y8+1:19540, y9+1:107495, y10+1:109820, y11+1:69918, y12+1:20667] 18 1 0 0.000000 1 0 0.000000 +SmallCalibratible_Yeast 140 24.95372 117.00000 4644253.50000 139 2.00000 491.78650 981.55845 16.350 9.218 0 KAPAAAPAASK KAPAAAPAASK KAPAAAPAASK 1 0 1 981.56073 -0.00228 -2.33 P29547 Elongation factor 1-gamma 1 primary:CAM1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [225 to 235] K K T [b1+1, b2+1, b5+1, b6+1, b8+1, b9+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+1, y9+2, y10+1] [b1+1:129.10210, b2+1:200.13950, b5+1:439.26508, b6+1:510.30228, b8+1:678.39417, b9+1:749.43121];[y1+1:147.11272, y2+1:234.14502, y3+1:305.18216, y4+1:376.21695, y5+1:473.27173, y6+1:544.30896, y7+1:615.34644, y8+1:686.38385, y9+2:392.22150, y10+1:854.47540] [b1+1:-0.00014, b2+1:0.00014, b5+1:-0.00127, b6+1:-0.00118, b8+1:0.00083, b9+1:0.00076];[y1+1:-0.00009, y2+1:0.00019, y3+1:0.00021, y4+1:-0.00211, y5+1:-0.00010, y6+1:0.00002, y7+1:0.00038, y8+1:0.00068, y9+2:-0.00021, y10+1:0.00236] [b1+1:-1.12, b2+1:0.72, b5+1:-2.90, b6+1:-2.32, b8+1:1.22, b9+1:1.02];[y1+1:-0.60, y2+1:0.80, y3+1:0.70, y4+1:-5.63, y5+1:-0.20, y6+1:0.04, y7+1:0.63, y8+1:1.00, y9+2:-0.27, y10+1:2.77] [b1+1:479061, b2+1:37605, b5+1:5621, b6+1:15483, b8+1:7940, b9+1:5762];[y1+1:80153, y2+1:75273, y3+1:47784, y4+1:10050, y5+1:284836, y6+1:76508, y7+1:132434, y8+1:160348, y9+2:178860, y10+1:29446] 16 2 0 0.000000 2 0 0.000000 +SmallCalibratible_Yeast 114 24.77032 163.00000 4478196.00000 111 2.00000 501.78152 1001.54850 16.256 10.084 0 KQAIETANK KQAIETANK KQAIETANK 2 0 1 1001.55056 -0.00206 -2.06 P0CS90 Heat shock protein SSC1, mitochondrial primary:SSC1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [553 to 561] R A T [b1+1, b2+1, b3+1, b4+1, b5+1, b6+1, b7+1, b8+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+1] [b1+1:129.10197, b2+1:257.16074, b3+1:328.19745, b4+1:441.28214, b5+1:570.32288, b6+1:671.36725, b7+1:742.41382, b8+1:856.44702];[y1+1:147.11263, y2+1:261.15540, y3+1:332.19263, y4+1:433.23990, y5+1:562.28400, y6+1:675.36725, y7+1:746.40314, y8+1:874.46356] [b1+1:-0.00026, b2+1:-0.00008, b3+1:-0.00048, b4+1:0.00014, b5+1:-0.00171, b6+1:-0.00502, b7+1:0.00444, b8+1:-0.00529];[y1+1:-0.00018, y2+1:-0.00034, y3+1:-0.00022, y4+1:-0.00063, y5+1:0.00088, y6+1:0.00007, y7+1:-0.00116, y8+1:0.00069] [b1+1:-2.07, b2+1:-0.32, b3+1:-1.47, b4+1:0.32, b5+1:-3.01, b6+1:-7.49, b7+1:5.99, b8+1:-6.18];[y1+1:-1.23, y2+1:-1.29, y3+1:-0.66, y4+1:-1.45, y5+1:1.57, y6+1:0.10, y7+1:-1.55, y8+1:0.79] [b1+1:506546, b2+1:87236, b3+1:23664, b4+1:12451, b5+1:13120, b6+1:11993, b7+1:5423, b8+1:10895];[y1+1:125581, y2+1:97115, y3+1:47576, y4+1:55747, y5+1:45172, y6+1:28597, y7+1:55671, y8+1:18190] 16 3 0 0.000000 3 0 0.000000 +SmallCalibratible_Yeast 19 24.17319 200.00000 3298775.25000 17 2.00000 537.76154 1073.50852 15.184 10.184 0 RVDEGGAQDK RVDEGGAQDK RVDEGGAQDK 2 0 1 1073.51015 -0.00163 -1.52 P02829|P15108 ATP-dependent molecular chaperone HSP82|ATP-dependent molecular chaperone HSC82 primary:HSP82|primary:HSC82 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [628 to 637]|[624 to 633] K T T [b1+1, b2+1, b3+1, b4+1, b5+1, b6+1, b7+1, b8+1, b9+1];[y1+1, y2+1, y4+1, y6+1, y7+1, y8+1] [b1+1:157.10771, b2+1:256.17728, b3+1:371.20370, b4+1:500.24649, b5+1:557.26837, b6+1:614.28973, b7+1:685.32721, b8+1:813.38586, b9+1:928.41272];[y1+1:147.11281, y2+1:262.14035, y4+1:461.24066, y6+1:575.27667, y7+1:704.31946, y8+1:819.35400] [b1+1:-0.00068, b2+1:0.00048, b3+1:-0.00004, b4+1:0.00015, b5+1:0.00057, b6+1:0.00047, b7+1:0.00083, b8+1:0.00091, b9+1:0.00082];[y1+1:0.00000, y2+1:0.00060, y4+1:0.00522, y6+1:-0.00169, y7+1:-0.00150, y8+1:0.00610] [b1+1:-4.33, b2+1:1.86, b3+1:-0.11, b4+1:0.31, b5+1:1.03, b6+1:0.76, b7+1:1.21, b8+1:1.12, b9+1:0.88];[y1+1:0.03, y2+1:2.31, y4+1:11.35, y6+1:-2.95, y7+1:-2.13, y8+1:7.46] [b1+1:6325, b2+1:4202, b3+1:46355, b4+1:18413, b5+1:17485, b6+1:108679, b7+1:98392, b8+1:39615, b9+1:46150];[y1+1:132679, y2+1:74675, y4+1:3114, y6+1:2876, y7+1:3844, y8+1:3075] 15 4 0 0.000000 4 0 0.000000 +SmallCalibratible_Yeast 35 24.26695 200.00000 515549.59375 28 2.00000 697.32581 1392.63706 15.120 10.120 0 KDAEPQSDSTTSK KDAEPQSDSTTSK KDAEPQSDSTTSK 1 0 1 1392.63687 0.00019 0.14 P15705 Heat shock protein STI1 primary:STI1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [221 to 233] K E T [b1+1, b2+1, b3+1, b4+1, b8+1];[y1+1, y2+1, y3+1, y5+1, y6+1, y7+1, y8+1, y9+1, y11+1, y12+1] [b1+1:129.10213, b2+1:244.12889, b3+1:315.16760, b4+1:444.21420, b8+1:871.37531];[y1+1:147.11281, y2+1:234.14508, y3+1:335.19330, y5+1:523.27264, y6+1:638.29230, y7+1:725.33105, y8+1:853.38190, y9+1:950.44232, y11+1:1150.53528, y12+1:1265.54077] [b1+1:-0.00011, b2+1:-0.00029, b3+1:0.00131, b4+1:0.00531, b8+1:-0.00390];[y1+1:0.00000, y2+1:0.00025, y3+1:0.00079, y5+1:0.00043, y6+1:-0.00686, y7+1:-0.00013, y8+1:-0.00787, y9+1:-0.00021, y11+1:0.01304, y12+1:-0.00841] [b1+1:-0.88, b2+1:-1.20, b3+1:4.16, b4+1:11.99, b8+1:-4.48];[y1+1:0.03, y2+1:1.06, y3+1:2.36, y5+1:0.82, y6+1:-10.77, y7+1:-0.19, y8+1:-9.23, y9+1:-0.22, y11+1:11.34, y12+1:-6.65] [b1+1:13520, b2+1:2896, b3+1:1497, b4+1:2265, b8+1:537];[y1+1:8220, y2+1:12962, y3+1:1583, y5+1:2272, y6+1:1448, y7+1:2577, y8+1:769, y9+1:9913, y11+1:548, y12+1:844] 15 5 0 0.000000 5 0 0.000000 +SmallCalibratible_Yeast 10 24.10798 86.00000 9137641.00000 6 2.00000 502.74780 1003.48105 14.218 9.218 0 EKAEAEAEK EKAEAEAEK EKAEAEAEK 2 0 1 1003.48220 -0.00115 -1.15 P40212|Q12690 60S ribosomal protein L13-B|60S ribosomal protein L13-A primary:RPL13B|primary:RPL13A Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [189 to 197] R K T [b2+1, b3+1, b4+1, b5+1, b6+1, b7+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+2] [b2+1:258.14493, b3+1:329.18201, b4+1:458.22516, b5+1:529.26251, b6+1:658.30505, b7+1:729.34528];[y1+1:147.11278, y2+1:276.15524, y3+1:347.19244, y4+1:476.23495, y5+1:547.27240, y6+1:676.31506, y7+1:747.35242, y8+2:438.22766] [b2+1:0.00010, b3+1:0.00006, b4+1:0.00062, b5+1:0.00086, b6+1:0.00081, b7+1:0.00392];[y1+1:-0.00003, y2+1:-0.00015, y3+1:-0.00007, y4+1:-0.00015, y5+1:0.00018, y6+1:0.00025, y7+1:0.00049, y8+2:0.00116] [b2+1:0.37, b3+1:0.18, b4+1:1.35, b5+1:1.63, b6+1:1.23, b7+1:5.38];[y1+1:-0.18, y2+1:-0.56, y3+1:-0.19, y4+1:-0.31, y5+1:0.33, y6+1:0.37, y7+1:0.66, y8+2:1.32] [b2+1:230090, b3+1:91466, b4+1:45613, b5+1:30519, b6+1:60026, b7+1:38335];[y1+1:297603, y2+1:156473, y3+1:200798, y4+1:88609, y5+1:178937, y6+1:133682, y7+1:385483, y8+2:56147] 14 6 0 0.000000 6 0 0.000000 +SmallCalibratible_Yeast 4 24.06874 127.00000 4643449.50000 1 2.00000 502.74753 1003.48050 14.165 9.165 0 EKAEAEAEK EKAEAEAEK EKAEAEAEK 2 0 1 1003.48220 -0.00170 -1.70 P40212|Q12690 60S ribosomal protein L13-B|60S ribosomal protein L13-A primary:RPL13B|primary:RPL13A Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [189 to 197] R K T [b1+1, b2+1, b3+1, b4+1, b5+1, b6+1, b7+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1] [b1+1:130.04944, b2+1:258.14499, b3+1:329.18143, b4+1:458.22623, b5+1:529.26099, b6+1:658.30353, b7+1:729.34564];[y1+1:147.11273, y2+1:276.15506, y3+1:347.19250, y4+1:476.23572, y5+1:547.27203, y6+1:676.31470, y7+1:747.35242] [b1+1:-0.00043, b2+1:0.00016, b3+1:-0.00052, b4+1:0.00169, b5+1:-0.00067, b6+1:-0.00072, b7+1:0.00428];[y1+1:-0.00007, y2+1:-0.00034, y3+1:-0.00001, y4+1:0.00061, y5+1:-0.00018, y6+1:-0.00011, y7+1:0.00049] [b1+1:-3.34, b2+1:0.61, b3+1:-1.58, b4+1:3.69, b5+1:-1.26, b6+1:-1.09, b7+1:5.88];[y1+1:-0.49, y2+1:-1.23, y3+1:-0.02, y4+1:1.29, y5+1:-0.34, y6+1:-0.17, y7+1:0.66] [b1+1:6903, b2+1:106877, b3+1:30025, b4+1:16597, b5+1:10839, b6+1:13640, b7+1:12248];[y1+1:153082, y2+1:63811, y3+1:72042, y4+1:28773, y5+1:68995, y6+1:48144, y7+1:134334] 14 7 0 0.000000 7 0 0.000000 +SmallCalibratible_Yeast 115 24.77398 159.00000 1891337.25000 111 2.00000 712.83490 1423.65525 14.143 9.143 0 FKEEDEKESQR FKEEDEKESQR FKEEDEKESQR 2 0 2 1423.65794 -0.00269 -1.89 P10591|P10592 Heat shock protein SSA1|Heat shock protein SSA2 primary:SSA1|primary:SSA2 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [522 to 532] K I T [b2+1, b3+1, b4+1, b5+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+1, y9+1, y10+2] [b2+1:276.17102, b3+1:405.21277, b4+1:534.25336, b5+1:649.27789];[y1+1:175.11865, y2+1:303.17822, y3+1:390.20810, y4+1:519.25311, y5+1:647.34583, y6+1:776.39001, y7+1:891.41766, y8+1:1020.45978, y9+1:1149.50049, y10+2:639.30261] [b2+1:0.00037, b3+1:-0.00048, b4+1:-0.00248, b5+1:-0.00489];[y1+1:-0.00030, y2+1:0.00069, y3+1:-0.00146, y4+1:0.00096, y5+1:-0.00129, y6+1:0.00031, y7+1:0.00101, y8+1:0.00053, y9+1:-0.00135, y10+2:0.00115] [b2+1:1.33, b3+1:-1.18, b4+1:-4.66, b5+1:-7.54];[y1+1:-1.72, y2+1:2.29, y3+1:-3.75, y4+1:1.86, y5+1:-1.99, y6+1:0.40, y7+1:1.14, y8+1:0.52, y9+1:-1.17, y10+2:0.90] [b2+1:14738, b3+1:11912, b4+1:1593, b5+1:2085];[y1+1:28453, y2+1:2015, y3+1:14033, y4+1:11396, y5+1:14991, y6+1:23133, y7+1:22017, y8+1:31573, y9+1:69957, y10+2:23064] 14 8 0 0.000000 8 0 0.000000 +SmallCalibratible_Yeast 136 24.90638 177.00000 1181578.75000 131 2.00000 593.75336 1185.49216 14.125 9.125 0 YDHEASSSYK YDHEASSSYK YDHEASSSYK 1 0 0 1185.49383 -0.00167 -1.41 P07267 Saccharopepsin primary:PEP4 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [133 to 142] K A T [b3+1, b4+1, b5+1, b6+1, b7+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+2, y9+2] [b3+1:416.15601, b4+1:545.19934, b5+1:616.23621, b6+1:703.27026, b7+1:790.29376];[y1+1:147.11273, y2+1:310.17667, y3+1:397.20596, y4+1:484.23672, y5+1:571.27612, y6+1:642.30890, y7+1:771.35059, y8+2:454.70914, y9+2:512.22058] [b3+1:-0.00045, b4+1:0.00029, b5+1:0.00004, b6+1:0.00207, b7+1:-0.00646];[y1+1:-0.00007, y2+1:0.00053, y3+1:-0.00220, y4+1:-0.00346, y5+1:0.00391, y6+1:-0.00043, y7+1:-0.00134, y8+2:0.00016, y9+2:-0.00389] [b3+1:-1.09, b4+1:0.53, b5+1:0.06, b6+1:2.95, b7+1:-8.19];[y1+1:-0.49, y2+1:1.73, y3+1:-5.55, y4+1:-7.17, y5+1:6.85, y6+1:-0.67, y7+1:-1.74, y8+2:0.18, y9+2:-3.81] [b3+1:14460, b4+1:8447, b5+1:4970, b6+1:4111, b7+1:1665];[y1+1:51579, y2+1:10329, y3+1:3788, y4+1:2179, y5+1:4016, y6+1:11134, y7+1:12421, y8+2:13320, y9+2:5599] 14 9 0 0.000000 9 0 0.000000 +SmallCalibratible_Yeast 54 24.40345 125.00000 2692635.00000 51 3.00000 427.56052 1279.65972 14.104 9.104 0 SKDVTDSATTKK SKDVTDSATTKK SKDVTDSATTKK 2 0 2 1279.66196 -0.00224 -1.75 P39015 Suppressor protein STM1 primary:STM1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [73 to 84] R S T [b2+1, b3+1, b4+1, b5+1, b6+1, b7+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+1] [b2+1:216.13416, b3+1:331.16193, b4+1:430.23019, b5+1:531.27686, b6+1:646.30072, b7+1:733.33374];[y1+1:147.11270, y2+1:275.20697, y3+1:376.25565, y4+1:477.30280, y5+1:548.33990, y6+1:635.37073, y7+1:750.39966, y8+1:851.44434] [b2+1:-0.00011, b3+1:0.00072, b4+1:0.00057, b5+1:-0.00045, b6+1:-0.00353, b7+1:-0.00253];[y1+1:-0.00010, y2+1:-0.00080, y3+1:0.00020, y4+1:-0.00033, y5+1:-0.00033, y6+1:-0.00154, y7+1:0.00045, y8+1:-0.00255] [b2+1:-0.52, b3+1:2.17, b4+1:1.33, b5+1:-0.84, b6+1:-5.46, b7+1:-3.46];[y1+1:-0.70, y2+1:-2.91, y3+1:0.53, y4+1:-0.69, y5+1:-0.61, y6+1:-2.43, y7+1:0.60, y8+1:-3.00] [b2+1:13085, b3+1:10740, b4+1:11886, b5+1:5445, b6+1:16679, b7+1:12987];[y1+1:47590, y2+1:12097, y3+1:16269, y4+1:50794, y5+1:20293, y6+1:23346, y7+1:19117, y8+1:19868] 14 10 0 0.000000 10 0 0.000000 +SmallCalibratible_Yeast 104 24.71679 107.00000 3729279.00000 103 2.00000 712.83521 1423.65586 13.246 8.246 0 FKEEDEKESQR FKEEDEKESQR FKEEDEKESQR 2 0 2 1423.65794 -0.00208 -1.46 P10591|P10592 Heat shock protein SSA1|Heat shock protein SSA2 primary:SSA1|primary:SSA2 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [522 to 532] K I T [b2+1, b3+1, b5+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+1, y9+1, y10+2] [b2+1:276.17059, b3+1:405.21292, b5+1:649.28601];[y1+1:175.11873, y2+1:303.17551, y3+1:390.20978, y4+1:519.25262, y5+1:647.34790, y6+1:776.39069, y7+1:891.41876, y8+1:1020.46033, y9+1:1149.50061, y10+2:639.30280] [b2+1:-0.00006, b3+1:-0.00033, b5+1:0.00323];[y1+1:-0.00022, y2+1:-0.00202, y3+1:0.00022, y4+1:0.00047, y5+1:0.00079, y6+1:0.00098, y7+1:0.00211, y8+1:0.00108, y9+1:-0.00123, y10+2:0.00151] [b2+1:-0.22, b3+1:-0.80, b5+1:4.98];[y1+1:-1.28, y2+1:-6.70, y3+1:0.56, y4+1:0.91, y5+1:1.22, y6+1:1.26, y7+1:2.37, y8+1:1.06, y9+1:-1.07, y10+2:1.19] [b2+1:58644, b3+1:44418, b5+1:5651];[y1+1:48900, y2+1:5543, y3+1:52481, y4+1:47555, y5+1:47550, y6+1:89364, y7+1:69310, y8+1:113957, y9+1:248920, y10+2:85645] 13 11 0 0.000000 11 0 0.000000 +SmallCalibratible_Yeast 53 24.39968 85.00000 8275016.50000 51 2.00000 515.28723 1028.55991 13.156 8.156 0 ALKQEGAANK ALKQEGAANK ALKQEGAANK 1 0 1 1028.56146 -0.00155 -1.50 P0CX49|P0CX50 60S ribosomal protein L18-A|60S ribosomal protein L18-B primary:RPL18A|primary:RPL18B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [70 to 79] R T T [b2+1, b4+1, b5+1, b6+1, b7+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+1] [b2+1:185.12822, b4+1:441.28204, b5+1:570.32532, b6+1:627.34540, b7+1:698.38312];[y1+1:147.11269, y2+1:261.15552, y3+1:332.19290, y4+1:403.23007, y5+1:460.25119, y6+1:589.29382, y7+1:717.35217, y8+1:845.44763] [b2+1:-0.00023, b4+1:0.00005, b5+1:0.00073, b6+1:-0.00065, b7+1:-0.00005];[y1+1:-0.00012, y2+1:-0.00021, y3+1:0.00006, y4+1:0.00011, y5+1:-0.00023, y6+1:-0.00019, y7+1:-0.00042, y8+1:0.00008] [b2+1:-1.27, b4+1:0.11, b5+1:1.28, b6+1:-1.04, b7+1:-0.07];[y1+1:-0.81, y2+1:-0.82, y3+1:0.17, y4+1:0.28, y5+1:-0.51, y6+1:-0.33, y7+1:-0.59, y8+1:0.09] [b2+1:60524, b4+1:51126, b5+1:20949, b6+1:20719, b7+1:22857];[y1+1:197189, y2+1:181127, y3+1:94394, y4+1:39624, y5+1:145166, y6+1:151711, y7+1:164996, y8+1:144336] 13 12 0 0.000000 12 0 0.000000 +SmallCalibratible_Yeast 97 24.67303 80.00000 14262772.00000 96 2.00000 576.78955 1151.56455 12.273 7.273 0 SKDVTDSATTK SKDVTDSATTK SKDVTDSATTK 2 0 1 1151.56700 -0.00245 -2.13 P39015 Suppressor protein STM1 primary:STM1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [73 to 83] R K T [b2+1, b3+1, b4+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+1, y9+1] [b2+1:216.13408, b3+1:331.16162, b4+1:430.23093];[y1+1:147.11264, y2+1:248.16017, y3+1:349.20813, y4+1:420.24448, y5+1:507.27649, y6+1:622.30487, y7+1:723.35156, y8+1:822.42041, y9+1:937.44708] [b2+1:-0.00019, b3+1:0.00041, b4+1:0.00130];[y1+1:-0.00016, y2+1:-0.00031, y3+1:-0.00003, y4+1:-0.00080, y5+1:-0.00081, y6+1:0.00062, y7+1:-0.00036, y8+1:0.00007, y9+1:-0.00020] [b2+1:-0.88, b3+1:1.24, b4+1:3.03];[y1+1:-1.12, y2+1:-1.26, y3+1:-0.09, y4+1:-1.90, y5+1:-1.61, y6+1:1.00, y7+1:-0.50, y8+1:0.09, y9+1:-0.21] [b2+1:436877, b3+1:451866, b4+1:69727];[y1+1:381949, y2+1:305307, y3+1:329862, y4+1:139624, y5+1:262949, y6+1:172845, y7+1:440159, y8+1:265067, y9+1:644028] 12 13 0 0.000000 13 0 0.000000 +SmallCalibratible_Yeast 62 24.45053 95.00000 10587044.00000 61 2.00000 433.73895 865.46335 12.265 7.134 0 KLEDHPK KLEDHPK KLEDHPK 2 0 1 865.46577 -0.00241 -2.79 P02994 Elongation factor 1-alpha primary:TEF1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [384 to 390] K F T [b1+1, b2+1, b3+1, b4+1, b5+1, b6+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b1+1:129.10208, b2+1:242.18677, b3+1:371.22748, b4+1:486.25427, b5+1:623.31482, b6+1:720.36707];[y1+1:147.11275, y2+1:244.16557, y3+1:381.22409, y4+1:496.25424, y5+1:625.29431, y6+1:738.37903] [b1+1:-0.00016, b2+1:0.00046, b3+1:-0.00142, b4+1:-0.00157, b5+1:0.00007, b6+1:-0.00045];[y1+1:-0.00006, y2+1:0.00001, y3+1:-0.00039, y4+1:0.00282, y5+1:0.00030, y6+1:0.00095] [b1+1:-1.23, b2+1:1.92, b3+1:-3.83, b4+1:-3.23, b5+1:0.11, b6+1:-0.63];[y1+1:-0.39, y2+1:0.02, y3+1:-1.02, y4+1:5.69, y5+1:0.47, y6+1:1.29] [b1+1:709880, b2+1:24171, b3+1:22354, b4+1:46981, b5+1:139783, b6+1:67966];[y1+1:415858, y2+1:580849, y3+1:122362, y4+1:58594, y5+1:209195, y6+1:412257] 12 14 0 0.000000 14 0 0.000000 +SmallCalibratible_Yeast 115 24.77398 159.00000 1891337.25000 111 1.00000 711.37726 710.36998 12.229 7.229 0 HIDAGAK HIDAGAK HIDAGAK 2 0 0 710.37114 -0.00116 -1.63 P00358|P00359 Glyceraldehyde-3-phosphate dehydrogenase 2|Glyceraldehyde-3-phosphate dehydrogenase 3 primary:TDH2|primary:TDH3 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [109 to 115] K K T [b1+1, b2+1, b3+1, b4+1, b5+1, b6+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b1+1:138.06596, b2+1:251.15031, b3+1:366.17715, b4+1:437.21381, b5+1:494.23563, b6+1:565.27234];[y1+1:147.11269, y2+1:218.14978, y3+1:275.17114, y4+1:346.20789, y5+1:461.23535, y6+1:574.31927] [b1+1:-0.00022, b2+1:0.00006, b3+1:-0.00004, b4+1:-0.00050, b5+1:-0.00015, b6+1:-0.00055];[y1+1:-0.00012, y2+1:-0.00014, y3+1:-0.00024, y4+1:-0.00061, y5+1:-0.00009, y6+1:-0.00023] [b1+1:-1.64, b2+1:0.25, b3+1:-0.11, b4+1:-1.15, b5+1:-0.30, b6+1:-0.97];[y1+1:-0.81, y2+1:-0.63, y3+1:-0.87, y4+1:-1.77, y5+1:-0.19, y6+1:-0.40] [b1+1:6719, b2+1:64072, b3+1:48689, b4+1:29805, b5+1:23563, b6+1:34012];[y1+1:16811, y2+1:8763, y3+1:17433, y4+1:39111, y5+1:117960, y6+1:25917] 12 15 0 0.000000 15 0 0.000000 +SmallCalibratible_Yeast 135 24.90220 107.00000 562239.87500 131 2.00000 569.31024 1136.60593 12.225 7.225 0 YLAKEEEKK YLAKEEEKK YLAKEEEKK 2 0 2 1136.60774 -0.00181 -1.59 P32589 Heat shock protein homolog SSE1 primary:SSE1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [642 to 650] R Q T [b2+1, b3+1, b5+1, b6+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+1] [b2+1:277.15445, b3+1:348.18805, b5+1:605.32861, b6+1:734.36597];[y1+1:147.11272, y2+1:275.20712, y3+1:404.24734, y4+1:533.29388, y5+1:662.33374, y6+1:790.42865, y7+1:861.46490, y8+1:974.54871] [b2+1:-0.00022, b3+1:-0.00373, b5+1:-0.00073, b6+1:-0.00597];[y1+1:-0.00009, y2+1:-0.00064, y3+1:-0.00302, y4+1:0.00093, y5+1:-0.00181, y6+1:-0.00186, y7+1:-0.00272, y8+1:-0.00298] [b2+1:-0.79, b3+1:-10.75, b5+1:-1.20, b6+1:-8.13];[y1+1:-0.60, y2+1:-2.35, y3+1:-7.48, y4+1:1.75, y5+1:-2.73, y6+1:-2.36, y7+1:-3.16, y8+1:-3.06] [b2+1:17283, b3+1:1943, b5+1:2818, b6+1:1858];[y1+1:14663, y2+1:8660, y3+1:4856, y4+1:5245, y5+1:11623, y6+1:15013, y7+1:35692, y8+1:6908] 12 16 0 0.000000 16 0 0.000000 +SmallCalibratible_Yeast 112 24.76278 74.00000 9380475.00000 111 2.00000 560.74768 1119.48081 12.215 7.215 0 YAGEVSHDDK YAGEVSHDDK YAGEVSHDDK 2 0 0 1119.48327 -0.00246 -2.20 P00358|P00359 Glyceraldehyde-3-phosphate dehydrogenase 2|Glyceraldehyde-3-phosphate dehydrogenase 3 primary:TDH2|primary:TDH3 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [54 to 63] R H T [b2+1, b3+1, b4+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+1, y9+1] [b2+1:235.10770, b3+1:292.12863, b4+1:421.17328];[y1+1:147.11272, y2+1:262.13974, y3+1:377.16690, y4+1:514.22522, y5+1:601.25677, y6+1:700.32550, y7+1:829.37097, y8+1:886.38916, y9+1:957.42676] [b2+1:-0.00002, b3+1:-0.00055, b4+1:0.00150];[y1+1:-0.00009, y2+1:-0.00001, y3+1:0.00021, y4+1:-0.00038, y5+1:-0.00086, y6+1:-0.00054, y7+1:0.00233, y8+1:-0.00094, y9+1:-0.00046] [b2+1:-0.10, b3+1:-1.89, b4+1:3.58];[y1+1:-0.60, y2+1:-0.03, y3+1:0.56, y4+1:-0.74, y5+1:-1.43, y6+1:-0.78, y7+1:2.82, y8+1:-1.06, y9+1:-0.48] [b2+1:241552, b3+1:82236, b4+1:27171];[y1+1:132786, y2+1:108122, y3+1:140465, y4+1:212520, y5+1:301950, y6+1:170472, y7+1:35807, y8+1:344705, y9+1:221993] 12 17 0 0.000000 17 0 0.000000 +SmallCalibratible_Yeast 2 24.06107 139.00000 7180275.50000 1 2.00000 488.73425 975.45395 12.212 7.212 0 RGNVCGDAK RGNVC[Common Fixed:Carbamidomethyl on C]GDAK RGNVCGDAK 1 Carbamidomethyl on C C2H3NO C2H3NO 0 1 975.45561 -0.00166 -1.70 P02994 Elongation factor 1-alpha primary:TEF1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [320 to 328] R N T [b1+1, b3+1, b4+1, b5+1, b6+1, b7+1, b8+1];[y1+1, y2+1, y3+1, y4+1, y5+1] [b1+1:157.10779, b3+1:328.17282, b4+1:427.24088, b5+1:587.27020, b6+1:644.29260, b7+1:759.32086, b8+1:830.35663];[y1+1:147.11281, y2+1:218.14993, y3+1:333.17590, y4+1:390.19876, y5+1:550.22571] [b1+1:-0.00060, b3+1:0.00004, b4+1:-0.00032, b5+1:-0.00164, b6+1:-0.00070, b7+1:0.00061, b8+1:-0.00073];[y1+1:0.00000, y2+1:0.00001, y3+1:-0.00096, y4+1:0.00044, y5+1:-0.00327] [b1+1:-3.84, b3+1:0.13, b4+1:-0.74, b5+1:-2.80, b6+1:-1.09, b7+1:0.81, b8+1:-0.88];[y1+1:0.03, y2+1:0.07, y3+1:-2.88, y4+1:1.12, y5+1:-5.95] [b1+1:24598, b3+1:56598, b4+1:97158, b5+1:30468, b6+1:59691, b7+1:549542, b8+1:47693];[y1+1:326518, y2+1:283842, y3+1:13102, y4+1:18787, y5+1:13724] 12 18 0 0.000000 18 0 0.000000 +SmallCalibratible_Yeast 133 24.89485 200.00000 3182377.50000 131 2.00000 469.21268 936.41080 12.175 7.175 0 SGTHNMYK SGTHNMYK SGTHNMYK 2 0 0 936.41235 -0.00155 -1.66 P0CX23|P0CX24 60S ribosomal protein L20-A|60S ribosomal protein L20-B primary:RPL20A|primary:RPL20B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [85 to 92] R E T [b2+1, b4+1, b5+1, b6+1, b7+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1] [b2+1:145.06071, b4+1:383.17413, b5+1:497.21011, b6+1:628.25110, b7+1:791.30383];[y1+1:147.11269, y2+1:310.17581, y3+1:441.21683, y4+1:555.25995, y5+1:692.31873, y6+1:793.36731, y7+1:850.38861] [b2+1:-0.00005, b4+1:0.00677, b5+1:-0.00017, b6+1:0.00033, b7+1:-0.01027];[y1+1:-0.00012, y2+1:-0.00032, y3+1:0.00021, y4+1:0.00040, y5+1:0.00027, y6+1:0.00117, y7+1:0.00101] [b2+1:-0.37, b4+1:17.73, b5+1:-0.35, b6+1:0.52, b7+1:-12.99];[y1+1:-0.81, y2+1:-1.04, y3+1:0.48, y4+1:0.73, y5+1:0.39, y6+1:1.48, y7+1:1.19] [b2+1:32294, b4+1:22188, b5+1:109873, b6+1:51598, b7+1:4673];[y1+1:178425, y2+1:57304, y3+1:16347, y4+1:36165, y5+1:31605, y6+1:10103, y7+1:7395] 12 19 0 0.000000 19 0 0.000000 +SmallCalibratible_Yeast 121 24.81330 173.00000 2352481.50000 117 2.00000 501.78180 1001.54905 12.161 7.023 0 KQAIETANK KQAIETANK KQAIETANK 2 0 1 1001.55056 -0.00151 -1.51 P0CS90 Heat shock protein SSC1, mitochondrial primary:SSC1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [553 to 561] R A T [b1+1, b2+1, b3+1, b4+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+1] [b1+1:129.10199, b2+1:257.16031, b3+1:328.19855, b4+1:441.28226];[y1+1:147.11255, y2+1:261.15573, y3+1:332.19193, y4+1:433.24121, y5+1:562.27808, y6+1:675.37219, y7+1:746.40405, y8+1:874.46259] [b1+1:-0.00025, b2+1:-0.00051, b3+1:0.00062, b4+1:0.00026];[y1+1:-0.00026, y2+1:0.00000, y3+1:-0.00092, y4+1:0.00069, y5+1:-0.00504, y6+1:0.00501, y7+1:-0.00024, y8+1:-0.00029] [b1+1:-1.95, b2+1:-1.98, b3+1:1.88, b4+1:0.60];[y1+1:-1.75, y2+1:0.00, y3+1:-2.78, y4+1:1.59, y5+1:-8.98, y6+1:7.43, y7+1:-0.32, y8+1:-0.33] [b1+1:137386, b2+1:86399, b3+1:4348, b4+1:3155];[y1+1:79670, y2+1:15411, y3+1:13478, y4+1:8764, y5+1:6484, y6+1:6320, y7+1:11869, y8+1:5922] 12 20 0 0.000000 20 0 0.000000 +SmallCalibratible_Yeast 48 24.36436 163.00000 3522760.25000 46 2.00000 392.71838 783.42221 12.146 7.146 0 AAAHSSLK AAAHSSLK AAAHSSLK 2 0 0 783.42390 -0.00169 -2.15 Q12118 Small glutamine-rich tetratricopeptide repeat-containing protein 2 primary:SGT2 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [143 to 150] R E T [b2+1, b3+1, b4+1, b5+1, b6+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+2] [b2+1:143.08139, b3+1:214.11871, b4+1:351.17773, b5+1:438.20956, b6+1:525.24017];[y1+1:147.11267, y2+1:260.19687, y3+1:347.22958, y4+1:434.26089, y5+1:571.32001, y6+1:642.35516, y7+2:357.20074] [b2+1:-0.00011, b3+1:0.00010, b4+1:0.00020, b5+1:0.00001, b6+1:-0.00141];[y1+1:-0.00013, y2+1:0.00000, y3+1:0.00069, y4+1:-0.00003, y5+1:0.00017, y6+1:-0.00179, y7+2:0.00015] [b2+1:-0.80, b3+1:0.45, b4+1:0.58, b5+1:0.01, b6+1:-2.70];[y1+1:-0.91, y2+1:0.00, y3+1:1.98, y4+1:-0.07, y5+1:0.30, y6+1:-2.79, y7+2:0.21] [b2+1:62581, b3+1:3992, b4+1:6900, b5+1:11407, b6+1:16109];[y1+1:267237, y2+1:26109, y3+1:16753, y4+1:43711, y5+1:21452, y6+1:22818, y7+2:16981] 12 21 0 0.000000 21 0 0.000000 +SmallCalibratible_Yeast 104 24.71679 107.00000 3729279.00000 103 1.00000 711.37738 710.37010 12.125 7.125 0 HIDAGAK HIDAGAK HIDAGAK 2 0 0 710.37114 -0.00103 -1.46 P00358|P00359 Glyceraldehyde-3-phosphate dehydrogenase 2|Glyceraldehyde-3-phosphate dehydrogenase 3 primary:TDH2|primary:TDH3 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [109 to 115] K K T [b1+1, b2+1, b3+1, b4+1, b5+1, b6+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b1+1:138.06660, b2+1:251.15045, b3+1:366.17737, b4+1:437.21451, b5+1:494.23456, b6+1:565.27216];[y1+1:147.11284, y2+1:218.15033, y3+1:275.17203, y4+1:346.20862, y5+1:461.23575, y6+1:574.31946] [b1+1:0.00042, b2+1:0.00020, b3+1:0.00017, b4+1:0.00020, b5+1:-0.00121, b6+1:-0.00073];[y1+1:0.00003, y2+1:0.00041, y3+1:0.00065, y4+1:0.00012, y5+1:0.00031, y6+1:-0.00004] [b1+1:3.04, b2+1:0.80, b3+1:0.47, b4+1:0.46, b5+1:-2.46, b6+1:-1.30];[y1+1:0.24, y2+1:1.90, y3+1:2.36, y4+1:0.36, y5+1:0.67, y6+1:-0.08] [b1+1:5697, b2+1:62201, b3+1:53885, b4+1:32739, b5+1:26997, b6+1:36824];[y1+1:18417, y2+1:9757, y3+1:16974, y4+1:49886, y5+1:120432, y6+1:30818] 12 22 0 0.000000 22 0 0.000000 +SmallCalibratible_Yeast 56 24.41131 110.00000 1171743.50000 51 2.00000 640.83734 1279.66013 12.084 7.084 0 SKDVTDSATTKK SKDVTDSATTKK SKDVTDSATTKK 2 0 2 1279.66196 -0.00183 -1.43 P39015 Suppressor protein STM1 primary:STM1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [73 to 84] R S T [b2+1, b3+1, b4+1];[y1+1, y2+1, y3+1, y4+1, y6+1, y7+1, y8+1, y9+1, y10+1] [b2+1:216.13403, b3+1:331.16092, b4+1:430.22803];[y1+1:147.11266, y2+1:275.20734, y3+1:376.25424, y4+1:477.30505, y6+1:635.36810, y7+1:750.40259, y8+1:851.44562, y9+1:950.51581, y10+1:1065.53906] [b2+1:-0.00023, b3+1:-0.00029, b4+1:-0.00160];[y1+1:-0.00015, y2+1:-0.00043, y3+1:-0.00120, y4+1:0.00193, y6+1:-0.00416, y7+1:0.00338, y8+1:-0.00127, y9+1:0.00051, y10+1:-0.00318] [b2+1:-1.09, b3+1:-0.88, b4+1:-3.72];[y1+1:-1.02, y2+1:-1.57, y3+1:-3.21, y4+1:4.05, y6+1:-6.56, y7+1:4.51, y8+1:-1.49, y9+1:0.53, y10+1:-2.99] [b2+1:13856, b3+1:11116, b4+1:4277];[y1+1:18125, y2+1:6072, y3+1:3747, y4+1:3073, y6+1:5753, y7+1:3920, y8+1:11205, y9+1:6149, y10+1:11632] 12 23 0 0.000000 23 0 0.000000 +SmallCalibratible_Yeast 81 24.58051 84.00000 9052649.00000 80 2.00000 463.74271 925.47086 11.356 6.356 0 THGNSGVVR THGNSGVVR THGNSGVVR 2 0 0 925.47298 -0.00212 -2.29 P05744|P41056 60S ribosomal protein L33-A|60S ribosomal protein L33-B primary:RPL33A|primary:RPL33B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [74 to 82] R A T [b1+1, b2+1, b3+1, b6+1];[y1+1, y2+1, y4+1, y5+1, y6+1, y7+1, y8+2] [b1+1:102.05466, b2+1:239.11394, b3+1:296.13507, b6+1:554.23102];[y1+1:175.11876, y2+1:274.18878, y4+1:430.27655, y5+1:517.30994, y6+1:631.35077, y7+1:688.37402, y8+2:413.21957] [b1+1:-0.00029, b2+1:0.00007, b3+1:-0.00026, b6+1:-0.00073];[y1+1:-0.00019, y2+1:0.00142, y4+1:-0.00069, y5+1:0.00066, y6+1:-0.00143, y7+1:0.00036, y8+2:-0.00070] [b1+1:-2.87, b2+1:0.30, b3+1:-0.88, b6+1:-1.32];[y1+1:-1.11, y2+1:5.18, y4+1:-1.62, y5+1:1.29, y6+1:-2.27, y7+1:0.52, y8+2:-0.85] [b1+1:15104, b2+1:536827, b3+1:52192, b6+1:16930];[y1+1:255996, y2+1:23867, y4+1:53499, y5+1:105754, y6+1:184683, y7+1:1440842, y8+2:534729] 11 24 0 0.000000 24 0 0.000000 +SmallCalibratible_Yeast 52 24.39612 130.00000 18411464.00000 51 2.00000 433.73941 865.46427 11.334 6.160 0 KLEDHPK KLEDHPK KLEDHPK 2 0 1 865.46577 -0.00150 -1.73 P02994 Elongation factor 1-alpha primary:TEF1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [384 to 390] K F T [b1+1, b2+1, b3+1, b4+1, b5+1, b6+1];[y1+1, y2+1, y3+1, y5+1, y6+1] [b1+1:129.10199, b2+1:242.18629, b3+1:371.22745, b4+1:486.25363, b5+1:623.31354, b6+1:720.36639];[y1+1:147.11276, y2+1:244.16530, y3+1:381.22296, y5+1:625.29236, y6+1:738.37628] [b1+1:-0.00025, b2+1:-0.00001, b3+1:-0.00145, b4+1:-0.00221, b5+1:-0.00121, b6+1:-0.00112];[y1+1:-0.00004, y2+1:-0.00027, y3+1:-0.00152, y5+1:-0.00166, y6+1:-0.00180] [b1+1:-1.95, b2+1:-0.04, b3+1:-3.91, b4+1:-4.55, b5+1:-1.95, b6+1:-1.56];[y1+1:-0.29, y2+1:-1.11, y3+1:-3.99, y5+1:-2.66, y6+1:-2.44] [b1+1:940818, b2+1:68446, b3+1:84288, b4+1:98280, b5+1:426646, b6+1:155053];[y1+1:402131, y2+1:1633540, y3+1:362206, y5+1:712878, y6+1:1262746] 11 25 0 0.000000 25 0 0.000000 +SmallCalibratible_Yeast 83 24.58784 100.00000 6090893.50000 80 2.00000 477.74017 953.46579 11.289 6.289 0 DAHGVTQAR DAHGVTQAR DAHGVTQAR 2 0 0 953.46789 -0.00210 -2.20 P05756 40S ribosomal protein S13 primary:RPS13 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [56 to 64] R V T [b2+1, b3+1, b4+1, b5+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+2] [b2+1:187.07126, b3+1:324.12997, b4+1:381.15167, b5+1:480.21960];[y1+1:175.11877, y2+1:246.15620, y3+1:374.21552, y4+1:475.26233, y5+1:574.33075, y6+1:631.35162, y7+2:384.70901] [b2+1:-0.00007, b3+1:-0.00027, b4+1:-0.00004, b5+1:-0.00052];[y1+1:-0.00018, y2+1:0.00014, y3+1:0.00087, y4+1:0.00001, y5+1:0.00001, y6+1:-0.00058, y7+2:-0.00036] [b2+1:-0.40, b3+1:-0.84, b4+1:-0.10, b5+1:-1.08];[y1+1:-1.02, y2+1:0.56, y3+1:2.34, y4+1:0.02, y5+1:0.02, y6+1:-0.91, y7+2:-0.47] [b2+1:15380, b3+1:115339, b4+1:59800, b5+1:14651];[y1+1:168820, y2+1:22370, y3+1:21923, y4+1:124664, y5+1:118073, y6+1:780071, y7+2:316200] 11 26 0 0.000000 26 0 0.000000 +SmallCalibratible_Yeast 118 24.80202 63.00000 25819674.00000 117 2.00000 560.74792 1119.48130 11.228 6.228 0 YAGEVSHDDK YAGEVSHDDK YAGEVSHDDK 2 0 0 1119.48327 -0.00197 -1.76 P00358|P00359 Glyceraldehyde-3-phosphate dehydrogenase 2|Glyceraldehyde-3-phosphate dehydrogenase 3 primary:TDH2|primary:TDH3 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [54 to 63] R H T [b2+1, b3+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+1, y9+1] [b2+1:235.10777, b3+1:292.12939];[y1+1:147.11284, y2+1:262.13983, y3+1:377.16702, y4+1:514.22589, y5+1:601.25781, y6+1:700.32599, y7+1:829.36707, y8+1:886.38965, y9+1:957.42792] [b2+1:0.00005, b3+1:0.00021];[y1+1:0.00003, y2+1:0.00008, y3+1:0.00033, y4+1:0.00029, y5+1:0.00018, y6+1:-0.00006, y7+1:-0.00157, y8+1:-0.00045, y9+1:0.00070] [b2+1:0.23, b3+1:0.73];[y1+1:0.24, y2+1:0.32, y3+1:0.88, y4+1:0.56, y5+1:0.30, y6+1:-0.08, y7+1:-1.90, y8+1:-0.51, y9+1:0.73] [b2+1:762324, b3+1:279229];[y1+1:236836, y2+1:370002, y3+1:404062, y4+1:719476, y5+1:965550, y6+1:461179, y7+1:122118, y8+1:927256, y9+1:648081] 11 27 0 0.000000 27 0 0.000000 +SmallCalibratible_Yeast 38 24.29533 122.00000 4170400.00000 36 2.00000 426.74274 851.47092 11.210 6.210 0 RQPAQPR RQPAQPR RQPAQPR 1 0 1 851.47258 -0.00166 -1.95 Q02753|Q12672 60S ribosomal protein L21-A|60S ribosomal protein L21-B primary:RPL21A|primary:RPL21B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [130 to 136] K E T [b1+1, b2+1, b4+1, b5+1, b6+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b1+1:157.10826, b2+1:285.16669, b4+1:453.25681, b5+1:581.31531, b6+1:678.36707];[y1+1:175.11873, y2+1:272.17160, y3+1:400.22916, y4+1:471.26572, y5+1:568.31982, y6+1:696.37872] [b1+1:-0.00013, b2+1:-0.00028, b4+1:-0.00004, b5+1:-0.00011, b6+1:-0.00112];[y1+1:-0.00022, y2+1:-0.00012, y3+1:-0.00114, y4+1:-0.00169, y5+1:-0.00035, y6+1:-0.00003] [b1+1:-0.81, b2+1:-0.98, b4+1:-0.08, b5+1:-0.19, b6+1:-1.65];[y1+1:-1.28, y2+1:-0.43, y3+1:-2.85, y4+1:-3.60, y5+1:-0.61, y6+1:-0.04] [b1+1:104971, b2+1:77509, b4+1:76020, b5+1:103727, b6+1:21147];[y1+1:113374, y2+1:48438, y3+1:9374, y4+1:23507, y5+1:214729, y6+1:81699] 11 28 0 0.000000 28 0 0.000000 +SmallCalibratible_Yeast 125 24.84419 200.00000 6071975.00000 123 2.00000 469.21249 936.41043 11.193 6.193 0 SGTHNMYK SGTHNMYK SGTHNMYK 2 0 0 936.41235 -0.00192 -2.05 P0CX23|P0CX24 60S ribosomal protein L20-A|60S ribosomal protein L20-B primary:RPL20A|primary:RPL20B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [85 to 92] R E T [b2+1, b5+1, b6+1, b7+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1] [b2+1:145.06067, b5+1:497.21048, b6+1:628.25079, b7+1:791.31396];[y1+1:147.11275, y2+1:310.17621, y3+1:441.21628, y4+1:555.25983, y5+1:692.31897, y6+1:793.36676, y7+1:850.38501] [b2+1:-0.00010, b5+1:0.00019, b6+1:0.00002, b7+1:-0.00014];[y1+1:-0.00006, y2+1:0.00008, y3+1:-0.00034, y4+1:0.00028, y5+1:0.00051, y6+1:0.00062, y7+1:-0.00259] [b2+1:-0.69, b5+1:0.39, b6+1:0.04, b7+1:-0.17];[y1+1:-0.39, y2+1:0.25, y3+1:-0.77, y4+1:0.51, y5+1:0.74, y6+1:0.79, y7+1:-3.05] [b2+1:83278, b5+1:255505, b6+1:110022, b7+1:11539];[y1+1:311557, y2+1:147825, y3+1:32180, y4+1:100396, y5+1:76075, y6+1:24735, y7+1:20368] 11 29 0 0.000000 29 0 0.000000 +SmallCalibratible_Yeast 94 24.64554 180.00000 2749168.75000 91 2.00000 400.23651 798.45847 11.164 6.059 0 KEPQVAK KEPQVAK KEPQVAK 1 0 1 798.45995 -0.00148 -1.86 P17255 V-type proton ATPase catalytic subunit A primary:VMA1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [539 to 545] R T T [b1+1, b2+1, b4+1, b5+1, b6+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b1+1:129.10207, b2+1:258.14487, b4+1:483.25598, b5+1:582.32666, b6+1:653.35999];[y1+1:147.11263, y2+1:218.14999, y3+1:317.21854, y4+1:445.27505, y5+1:542.32928, y6+1:671.37610] [b1+1:-0.00017, b2+1:0.00003, b4+1:-0.00019, b5+1:0.00207, b6+1:-0.00172];[y1+1:-0.00018, y2+1:0.00008, y3+1:0.00020, y4+1:-0.00185, y5+1:-0.00039, y6+1:0.00383] [b1+1:-1.35, b2+1:0.13, b4+1:-0.40, b5+1:3.56, b6+1:-2.63];[y1+1:-1.23, y2+1:0.35, y3+1:0.65, y4+1:-4.17, y5+1:-0.72, y6+1:5.72] [b1+1:191469, b2+1:17709, b4+1:14275, b5+1:5013, b6+1:16003];[y1+1:62644, y2+1:22075, y3+1:23726, y4+1:9923, y5+1:79215, y6+1:9470] 11 30 0 0.000000 30 0 0.000000 +SmallCalibratible_Yeast 49 24.36832 156.00000 6663240.50000 46 3.00000 311.51801 931.53219 11.147 6.147 0 DKAETLKK DKAETLKK DKAETLKK 2 0 2 931.53385 -0.00166 -1.78 P00950 Phosphoglycerate mutase 1 primary:GPM1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [97 to 104] K F T [b2+1, b3+1, b4+1, b5+1];[y1+1, y2+1, y3+1, y4+2, y5+1, y6+2, y7+3] [b2+1:244.12839, b3+1:315.16684, b4+1:444.20923, b5+1:545.25598];[y1+1:147.11273, y2+1:275.20773, y3+1:388.29205, y4+2:245.17314, y5+1:618.38165, y6+2:345.21280, y7+3:273.17584] [b2+1:-0.00080, b3+1:0.00054, b4+1:0.00034, b5+1:-0.00059];[y1+1:-0.00007, y2+1:-0.00003, y3+1:0.00022, y4+2:-0.00050, y5+1:-0.00045, y6+2:-0.00089, y7+3:-0.00121] [b2+1:-3.27, b3+1:1.73, b4+1:0.77, b5+1:-1.08];[y1+1:-0.49, y2+1:-0.12, y3+1:0.57, y4+2:-1.03, y5+1:-0.73, y6+2:-1.30, y7+3:-1.48] [b2+1:48797, b3+1:42965, b4+1:45987, b5+1:16590];[y1+1:252137, y2+1:185670, y3+1:78882, y4+2:55190, y5+1:59527, y6+2:168205, y7+3:28716] 11 31 0 0.000000 31 0 0.000000 +SmallCalibratible_Yeast 74 24.53075 113.00000 7153009.00000 73 2.00000 589.27502 1176.53550 11.141 6.141 0 NLSDEKNDSR NLSDEKNDSR NLSDEKNDSR 1 0 1 1176.53709 -0.00160 -1.36 P0C2I3|P0C2I5|P0C2I6|P0C2I7|P0C2I8|P0C2J1|P0CX70|P0CX71|P0CX72|P0CX73|P0CX74|P0CX75|P0CX76|P47098|Q03434|Q03612|Q12085|Q12141|Q12273|Q12414|Q6Q5H1|Q92392 Transposon Ty1-DR6 Gag-Pol polyprotein|Transposon Ty1-LR2 Gag-Pol polyprotein|Transposon Ty1-LR3 Gag-Pol polyprotein|Transposon Ty1-LR4 Gag-Pol polyprotein|Transposon Ty1-LR4 Gag polyprotein|Transposon Ty1-PR3 Gag-Pol polyprotein|Transposon Ty1-DR6 Gag polyprotein|Transposon Ty1-ER1 Gag polyprotein|Transposon Ty1-LR2 Gag polyprotein|Transposon Ty1-PL Gag polyprotein|Transposon Ty1-JR1 Gag polyprotein|Transposon Ty1-LR3 Gag polyprotein|Transposon Ty1-ML2 Gag polyprotein|Transposon Ty1-JR1 Gag-Pol polyprotein|Transposon Ty1-ML2 Gag-Pol polyprotein|Transposon Ty1-ER1 Gag-Pol polyprotein|Transposon Ty1-GR1 Gag polyprotein|Transposon Ty1-GR1 Gag-Pol polyprotein|Transposon Ty1-OL Gag-Pol polyprotein|Transposon Ty1-PL Gag-Pol polyprotein|Transposon Ty1-PR3 Gag polyprotein|Transposon Ty1-OL Gag polyprotein primary:TY1B-DR6|primary:TY1B-LR2|primary:TY1B-LR3|primary:TY1B-LR4|primary:TY1A-LR4|primary:TY1B-PR3|primary:TY1A-DR6|primary:TY1A-ER1|primary:TY1A-LR2|primary:TY1A-PL|primary:TY1A-JR1|primary:TY1A-LR3|primary:TY1A-ML2|primary:TY1B-JR1|primary:TY1B-ML2|primary:TY1B-ER1|primary:TY1A-GR1|primary:TY1B-GR1|primary:TY1B-OL|primary:TY1B-PL|primary:TY1A-PR3|primary:TY1A-OL Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [363 to 372] R S T [b2+1, b3+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+1, y9+2] [b2+1:228.13420, b3+1:315.16632];[y1+1:175.11871, y2+1:262.15109, y3+1:377.17722, y4+1:491.22174, y5+1:619.31604, y6+1:748.35785, y7+1:863.38336, y8+1:950.41681, y9+2:532.25299] [b2+1:-0.00007, b3+1:0.00002];[y1+1:-0.00024, y2+1:0.00011, y3+1:-0.00071, y4+1:0.00089, y5+1:0.00023, y6+1:-0.00056, y7+1:-0.00199, y8+1:-0.00057, y9+2:-0.00274] [b2+1:-0.29, b3+1:0.08];[y1+1:-1.37, y2+1:0.43, y3+1:-1.88, y4+1:1.81, y5+1:0.37, y6+1:-0.75, y7+1:-2.31, y8+1:-0.60, y9+2:-2.58] [b2+1:60892, b3+1:128850];[y1+1:206459, y2+1:190315, y3+1:11265, y4+1:45633, y5+1:41161, y6+1:54958, y7+1:64506, y8+1:191434, y9+2:13499] 11 32 0 0.000000 32 0 0.000000 +SmallCalibratible_Yeast 65 24.46236 179.00000 4681111.00000 61 3.00000 311.51788 931.53182 11.128 6.128 0 DKAETLKK DKAETLKK DKAETLKK 2 0 2 931.53385 -0.00203 -2.17 P00950 Phosphoglycerate mutase 1 primary:GPM1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [97 to 104] K F T [b2+1, b3+1, b4+1, b5+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+2, y7+3] [b2+1:244.12735, b3+1:315.16556, b4+1:444.20639, b5+1:545.25519];[y1+1:147.11267, y2+1:275.20761, y3+1:388.29105, y4+1:489.33936, y5+1:618.38574, y6+2:345.21317, y7+3:273.17554] [b2+1:-0.00183, b3+1:-0.00074, b4+1:-0.00250, b5+1:-0.00138];[y1+1:-0.00013, y2+1:-0.00016, y3+1:-0.00079, y4+1:-0.00015, y5+1:0.00364, y6+2:-0.00016, y7+3:-0.00212] [b2+1:-7.54, b3+1:-2.35, b4+1:-5.64, b5+1:-2.54];[y1+1:-0.91, y2+1:-0.57, y3+1:-2.03, y4+1:-0.32, y5+1:5.90, y6+2:-0.24, y7+3:-2.60] [b2+1:18406, b3+1:11533, b4+1:22754, b5+1:7092];[y1+1:199617, y2+1:86987, y3+1:29286, y4+1:67694, y5+1:21196, y6+2:97410, y7+3:35415] 11 33 0 0.000000 33 0 0.000000 +SmallCalibratible_Yeast 92 24.63780 133.00000 4992600.00000 91 2.00000 544.76898 1087.52341 11.107 6.107 0 LQEEERER LQEEERER LQEEERER 2 0 1 1087.52580 -0.00239 -2.20 P02407|P14127 40S ribosomal protein S17-A|40S ribosomal protein S17-B primary:RPS17A|primary:RPS17B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [73 to 80] K K T [b2+1, b3+1, b6+1, b7+1];[y1+1, y2+1, y3+1, y4+2, y5+2, y6+1, y7+2] [b2+1:242.15009, b3+1:371.19241, b6+1:785.38837, b7+1:914.42865];[y1+1:175.11877, y2+1:304.16101, y3+1:460.26291, y4+2:295.15628, y5+2:359.67761, y6+1:847.39087, y7+2:488.22748] [b2+1:0.00017, b3+1:-0.00010, b6+1:0.00956, b7+1:0.00725];[y1+1:-0.00018, y2+1:-0.00053, y3+1:0.00025, y4+2:0.00004, y5+2:0.00011, y6+1:0.00043, y7+2:-0.00133] [b2+1:0.69, b3+1:-0.26, b6+1:12.19, b7+1:7.94];[y1+1:-1.02, y2+1:-1.76, y3+1:0.55, y4+2:0.06, y5+2:0.15, y6+1:0.51, y7+2:-1.37] [b2+1:68737, b3+1:22115, b6+1:8080, b7+1:9883];[y1+1:221337, y2+1:22115, y3+1:12723, y4+2:26573, y5+2:32859, y6+1:39024, y7+2:72947] 11 34 0 0.000000 34 0 0.000000 +SmallCalibratible_Yeast 82 24.58413 117.00000 7427645.50000 80 2.00000 544.76904 1087.52353 11.082 6.082 0 LQEEERER LQEEERER LQEEERER 2 0 1 1087.52580 -0.00227 -2.09 P02407|P14127 40S ribosomal protein S17-A|40S ribosomal protein S17-B primary:RPS17A|primary:RPS17B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [73 to 80] K K T [b2+1, b3+1, b6+1, b7+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+2, y7+1] [b2+1:242.14948, b3+1:371.19086, b6+1:785.37329, b7+1:914.41827];[y1+1:175.11865, y2+1:304.16132, y3+1:460.26004, y4+1:589.30542, y5+1:718.34717, y6+2:424.19824, y7+1:975.44592] [b2+1:-0.00044, b3+1:-0.00165, b6+1:-0.00552, b7+1:-0.00313];[y1+1:-0.00030, y2+1:-0.00023, y3+1:-0.00262, y4+1:0.00017, y5+1:-0.00067, y6+2:-0.00123, y7+1:-0.00309] [b2+1:-1.84, b3+1:-4.47, b6+1:-7.03, b7+1:-3.42];[y1+1:-1.72, y2+1:-0.76, y3+1:-5.70, y4+1:0.29, y5+1:-0.94, y6+2:-1.45, y7+1:-3.17] [b2+1:125737, b3+1:14794, b6+1:24569, b7+1:30184];[y1+1:215076, y2+1:48413, y3+1:27802, y4+1:27379, y5+1:31637, y6+2:28749, y7+1:32334] 11 35 0 0.000000 35 0 0.000000 +SmallCalibratible_Yeast 75 24.53442 89.00000 4863084.00000 73 2.00000 463.74295 925.47135 10.336 5.336 0 THGNSGVVR THGNSGVVR THGNSGVVR 2 0 0 925.47298 -0.00163 -1.76 P05744|P41056 60S ribosomal protein L33-A|60S ribosomal protein L33-B primary:RPL33A|primary:RPL33B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [74 to 82] R A T [b2+1, b3+1, b6+1];[y1+1, y2+1, y4+1, y5+1, y6+1, y7+1, y8+2] [b2+1:239.11392, b3+1:296.13556, b6+1:554.22839];[y1+1:175.11876, y2+1:274.18683, y4+1:430.27692, y5+1:517.30963, y6+1:631.35187, y7+1:688.37415, y8+2:413.21954] [b2+1:0.00006, b3+1:0.00023, b6+1:-0.00336];[y1+1:-0.00019, y2+1:-0.00054, y4+1:-0.00033, y5+1:0.00036, y6+1:-0.00033, y7+1:0.00048, y8+2:-0.00076] [b2+1:0.23, b3+1:0.77, b6+1:-6.07];[y1+1:-1.11, y2+1:-1.97, y4+1:-0.76, y5+1:0.70, y6+1:-0.53, y7+1:0.70, y8+2:-0.93] [b2+1:274148, b3+1:27323, b6+1:11827];[y1+1:152100, y2+1:15596, y4+1:26657, y5+1:55560, y6+1:99158, y7+1:708977, y8+2:263960] 10 36 0 0.000000 36 0 0.000000 +SmallCalibratible_Yeast 116 24.77815 118.00000 5053496.00000 111 2.00000 456.23755 910.46054 10.302 5.302 0 QIVHDSGR QIVHDSGR QIVHDSGR 3 0 0 910.46208 -0.00153 -1.68 P0CX45|P0CX46 60S ribosomal protein L2-A|60S ribosomal protein L2-B primary:RPL2A|primary:RPL2B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [47 to 54] K G T [b1+1, b2+1, b3+1];[y1+1, y2+1, y3+1, y4+1, y5+2, y6+1, y7+1] [b1+1:129.06572, b2+1:242.14949, b3+1:341.21667];[y1+1:175.11873, y2+1:232.13983, y3+1:319.17209, y4+1:434.19870, y5+2:286.13275, y6+1:670.32581, y7+1:783.40851] [b1+1:-0.00013, b2+1:-0.00043, b3+1:-0.00166];[y1+1:-0.00022, y2+1:-0.00058, y3+1:-0.00036, y4+1:-0.00069, y5+2:-0.00007, y6+1:-0.00091, y7+1:-0.00227] [b1+1:-1.05, b2+1:-1.77, b3+1:-4.87];[y1+1:-1.28, y2+1:-2.53, y3+1:-1.12, y4+1:-1.59, y5+2:-0.13, y6+1:-1.36, y7+1:-2.90] [b1+1:86676, b2+1:65082, b3+1:6492];[y1+1:80778, y2+1:23329, y3+1:292815, y4+1:263397, y5+2:334727, y6+1:337445, y7+1:32923] 10 37 0 0.000000 37 0 0.000000 +SmallCalibratible_Yeast 120 24.80956 111.00000 7091555.50000 117 2.00000 456.23761 910.46067 10.267 5.267 0 QIVHDSGR QIVHDSGR QIVHDSGR 3 0 0 910.46208 -0.00141 -1.55 P0CX45|P0CX46 60S ribosomal protein L2-A|60S ribosomal protein L2-B primary:RPL2A|primary:RPL2B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [47 to 54] K G T [b1+1, b2+1, b3+1];[y1+1, y2+1, y3+1, y4+1, y5+2, y6+2, y7+1] [b1+1:129.06566, b2+1:242.14955, b3+1:341.21866];[y1+1:175.11867, y2+1:232.14050, y3+1:319.17200, y4+1:434.19858, y5+2:286.13260, y6+2:335.66663, y7+1:783.41125] [b1+1:-0.00020, b2+1:-0.00037, b3+1:0.00033];[y1+1:-0.00028, y2+1:0.00009, y3+1:-0.00045, y4+1:-0.00081, y5+2:-0.00038, y6+2:-0.00074, y7+1:0.00048] [b1+1:-1.53, b2+1:-1.52, b3+1:0.96];[y1+1:-1.63, y2+1:0.38, y3+1:-1.41, y4+1:-1.87, y5+2:-0.66, y6+2:-1.10, y7+1:0.61] [b1+1:135749, b2+1:92052, b3+1:11088];[y1+1:104380, y2+1:30626, y3+1:418316, y4+1:441812, y5+2:517351, y6+2:93332, y7+1:51637] 10 38 0 0.000000 38 0 0.000000 +SmallCalibratible_Yeast 43 24.33007 114.00000 9110353.00000 41 2.00000 447.72418 893.43381 10.091 5.091 0 RPYESSR RPYESSR RPYESSR 1 0 1 893.43553 -0.00172 -1.92 O13516|P05755 40S ribosomal protein S9-A|40S ribosomal protein S9-B primary:RPS9A|primary:RPS9B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [17 to 23] K L T [b1+1, b3+1, b4+1, b5+1, b6+1];[y1+1, y3+1, y4+1, y5+1, y6+1] [b1+1:157.10851, b3+1:417.22278, b4+1:546.26837, b5+1:633.30011, b6+1:720.32806];[y1+1:175.11893, y3+1:349.18033, y4+1:478.22476, y5+1:641.28943, y6+1:738.34198] [b1+1:0.00012, b3+1:-0.00170, b4+1:0.00130, b5+1:0.00101, b6+1:-0.00307];[y1+1:-0.00003, y3+1:-0.00268, y4+1:-0.00084, y5+1:0.00050, y6+1:0.00029] [b1+1:0.75, b3+1:-4.09, b4+1:2.38, b5+1:1.59, b6+1:-4.26];[y1+1:-0.14, y3+1:-7.70, y4+1:-1.76, y5+1:0.78, y6+1:0.39] [b1+1:55873, b3+1:20281, b4+1:38555, b5+1:29900, b6+1:35896];[y1+1:270627, y3+1:46669, y4+1:26270, y5+1:89808, y6+1:211727] 10 39 0 0.000000 39 0 0.000000 +SmallCalibratible_Yeast 106 24.72421 200.00000 2620940.00000 103 2.00000 576.78973 1151.56491 10.087 5.087 0 SKDVTDSATTK SKDVTDSATTK SKDVTDSATTK 2 0 1 1151.56700 -0.00208 -1.81 P39015 Suppressor protein STM1 primary:STM1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [73 to 83] R K T [b2+1, b4+1];[y1+1, y2+1, y3+1, y5+1, y6+1, y7+1, y8+1, y9+1] [b2+1:216.13420, b4+1:430.23077];[y1+1:147.11282, y2+1:248.16026, y3+1:349.20828, y5+1:507.27798, y6+1:622.30798, y7+1:723.34851, y8+1:822.42255, y9+1:937.45123] [b2+1:-0.00007, b4+1:0.00115];[y1+1:0.00002, y2+1:-0.00022, y3+1:0.00012, y5+1:0.00068, y6+1:0.00374, y7+1:-0.00341, y8+1:0.00221, y9+1:0.00395] [b2+1:-0.31, b4+1:2.68];[y1+1:0.13, y2+1:-0.89, y3+1:0.35, y5+1:1.35, y6+1:6.01, y7+1:-4.73, y8+1:2.69, y9+1:4.22] [b2+1:18455, b4+1:2965];[y1+1:130024, y2+1:22224, y3+1:9312, y5+1:5658, y6+1:4491, y7+1:13578, y8+1:6585, y9+1:15731] 10 40 0 0.000000 40 0 0.000000 +SmallCalibratible_Yeast 100 24.68427 200.00000 1430635.12500 96 2.00000 603.29803 1204.58152 10.056 5.056 0 YNHVQTSTQK YNHVQTSTQK YNHVQTSTQK 1 0 0 1204.58365 -0.00213 -1.77 P38079|Q12117 Protein YRO2|Protein MRH1 primary:YRO2|primary:MRH1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [95 to 104] K E T [b3+1, b4+1, b5+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1] [b3+1:415.17200, b4+1:514.24133, b5+1:642.30426];[y1+1:147.11272, y2+1:275.17212, y3+1:376.22058, y4+1:463.25140, y5+1:564.29401, y6+1:692.36340, y7+1:791.42175] [b3+1:-0.00045, b4+1:0.00047, b5+1:0.00482];[y1+1:-0.00009, y2+1:0.00074, y3+1:0.00152, y4+1:0.00032, y5+1:-0.00476, y6+1:0.00606, y7+1:-0.00401] [b3+1:-1.08, b4+1:0.93, b5+1:7.52];[y1+1:-0.60, y2+1:2.69, y3+1:4.05, y4+1:0.68, y5+1:-8.45, y6+1:8.76, y7+1:-5.07] [b3+1:13816, b4+1:5318, b5+1:3323];[y1+1:33002, y2+1:6149, y3+1:4170, y4+1:1562, y5+1:4792, y6+1:2600, y7+1:5150] 10 41 0 0.000000 41 0 0.000000 +SmallCalibratible_Yeast 141 24.95761 117.00000 7710674.00000 139 2.00000 390.22342 778.43229 9.258 4.258 0 KATAFNK KATAFNK KATAFNK 1 0 1 778.43374 -0.00145 -1.87 P26784|P26785 60S ribosomal protein L16-A|60S ribosomal protein L16-B primary:RPL16A|primary:RPL16B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [60 to 66]|[59 to 65] R T T [b1+1, b2+1, b3+1, b4+1, b5+1];[y1+1, y2+1, y3+1, y4+1] [b1+1:129.10202, b2+1:200.13802, b3+1:301.18625, b4+1:372.22198, b5+1:519.29504];[y1+1:147.11264, y2+1:261.15558, y3+1:408.22501, y4+1:479.25876] [b1+1:-0.00022, b2+1:-0.00134, b3+1:-0.00078, b4+1:-0.00216, b5+1:0.00248];[y1+1:-0.00016, y2+1:-0.00015, y3+1:0.00086, y4+1:-0.00250] [b1+1:-1.71, b2+1:-6.72, b3+1:-2.61, b4+1:-5.82, b5+1:4.79];[y1+1:-1.12, y2+1:-0.59, y3+1:2.11, y4+1:-5.23] [b1+1:918374, b2+1:29485, b3+1:16418, b4+1:53904, b5+1:9935];[y1+1:682604, y2+1:170299, y3+1:70046, y4+1:41775] 9 42 0 0.000000 42 0 0.000000 +SmallCalibratible_Yeast 23 24.20423 69.00000 5120666.50000 22 2.00000 428.71628 855.41800 9.218 4.218 0 HAVSEGTR HAVSEGTR HAVSEGTR 1 0 0 855.41988 -0.00188 -2.19 P02293|P02294 Histone H2B.1|Histone H2B.2 primary:HTB1|primary:HTB2 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [113 to 120] K A T [b1+1, b2+1, b3+1];[y1+1, y3+1, y4+1, y5+1, y6+1, y7+1] [b1+1:138.06612, b2+1:209.10341, b3+1:308.17227];[y1+1:175.11877, y3+1:333.18817, y4+1:462.22781, y5+1:549.26367, y6+1:648.33167, y7+1:719.36786] [b1+1:-0.00007, b2+1:0.00011, b3+1:0.00056];[y1+1:-0.00018, y3+1:0.00008, y4+1:-0.00287, y5+1:0.00096, y6+1:0.00054, y7+1:-0.00038] [b1+1:-0.53, b2+1:0.51, b3+1:1.81];[y1+1:-1.02, y3+1:0.23, y4+1:-6.23, y5+1:1.74, y6+1:0.83, y7+1:-0.54] [b1+1:21772, b2+1:206096, b3+1:15325];[y1+1:255930, y3+1:52887, y4+1:14039, y5+1:88945, y6+1:190954, y7+1:268499] 9 43 0 0.000000 43 0 0.000000 +SmallCalibratible_Yeast 64 24.45811 144.00000 4240037.50000 61 2.00000 425.72345 849.43235 9.217 4.118 0 KDFNQAK KDFNQAK KDFNQAK 3 0 1 849.43447 -0.00212 -2.50 P46784 40S ribosomal protein S10-B primary:RPS10B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [25 to 31] K H T [b1+1, b2+1, b3+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b1+1:129.10202, b2+1:244.12975, b3+1:391.19659];[y1+1:147.11266, y2+1:218.14983, y3+1:346.20728, y4+1:460.25247, y5+1:607.31409, y6+1:722.34607] [b1+1:-0.00022, b2+1:0.00056, b3+1:-0.00100];[y1+1:-0.00015, y2+1:-0.00009, y3+1:-0.00122, y4+1:0.00105, y5+1:-0.00575, y6+1:-0.00071] [b1+1:-1.71, b2+1:2.32, b3+1:-2.57];[y1+1:-1.02, y2+1:-0.42, y3+1:-3.53, y4+1:2.28, y5+1:-9.48, y6+1:-0.98] [b1+1:289198, b2+1:12261, b3+1:10878];[y1+1:396095, y2+1:52147, y3+1:16266, y4+1:29679, y5+1:40573, y6+1:71842] 9 44 0 0.000000 44 0 0.000000 +SmallCalibratible_Yeast 134 24.89863 116.00000 14394799.00000 131 2.00000 402.72601 803.43747 9.140 3.056 0 DKAETLK DKAETLK DKAETLK 2 0 1 803.43888 -0.00141 -1.75 P00950 Phosphoglycerate mutase 1 primary:GPM1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [97 to 103] K K T [b2+1, b3+1, b4+1, b5+1];[y1+1, y2+1, y3+1, y4+1, y5+1] [b2+1:244.12881, b3+1:315.16562, b4+1:444.20926, b5+1:545.25659];[y1+1:147.11267, y2+1:260.19656, y3+1:361.24405, y4+1:490.28696, y5+1:561.32434] [b2+1:-0.00037, b3+1:-0.00068, b4+1:0.00037, b5+1:0.00002];[y1+1:-0.00013, y2+1:-0.00030, y3+1:-0.00050, y4+1:-0.00018, y5+1:0.00009] [b2+1:-1.51, b3+1:-2.16, b4+1:0.83, b5+1:0.04];[y1+1:-0.91, y2+1:-1.17, y3+1:-1.38, y4+1:-0.37, y5+1:0.16] [b2+1:70194, b3+1:49631, b4+1:49626, b5+1:66605];[y1+1:895226, y2+1:169643, y3+1:154050, y4+1:79623, y5+1:481634] 9 45 0 0.000000 45 0 0.000000 +SmallCalibratible_Yeast 20 24.17705 108.00000 3518504.25000 17 2.00000 465.74039 929.46622 9.125 4.125 0 IDREGNAR IDREGNAR IDREGNAR 2 0 1 929.46789 -0.00167 -1.80 P48589 40S ribosomal protein S12 primary:RPS12 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [106 to 113] K K T [b3+1, b5+1, b6+1, b7+1];[y1+1, y2+1, y4+1, y5+1, y6+2] [b3+1:385.22031, b5+1:571.28510, b6+1:685.33136, b7+1:756.36597];[y1+1:175.11880, y2+1:246.15752, y4+1:417.22031, y5+1:546.26276, y6+2:351.68570] [b3+1:0.00091, b5+1:0.00164, b6+1:0.00498, b7+1:0.00247];[y1+1:-0.00015, y2+1:0.00145, y4+1:-0.00015, y5+1:-0.00029, y6+2:-0.00004] [b3+1:2.37, b5+1:2.88, b6+1:7.28, b7+1:3.28];[y1+1:-0.85, y2+1:5.92, y4+1:-0.36, y5+1:-0.54, y6+2:-0.06] [b3+1:11576, b5+1:7596, b6+1:66914, b7+1:15639];[y1+1:108362, y2+1:12206, y4+1:38256, y5+1:58489, y6+2:122000] 9 46 0 0.000000 46 0 0.000000 +SmallCalibratible_Yeast 126 24.84802 116.00000 9321302.00000 123 2.00000 402.72595 803.43735 9.121 4.034 0 DKAETLK DKAETLK DKAETLK 2 0 1 803.43888 -0.00153 -1.91 P00950 Phosphoglycerate mutase 1 primary:GPM1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [97 to 103] K K T [b2+1, b3+1, b4+1, b5+1];[y1+1, y2+1, y3+1, y4+1, y5+1] [b2+1:244.12897, b3+1:315.16629, b4+1:444.21634, b5+1:545.25708];[y1+1:147.11261, y2+1:260.19748, y3+1:361.24475, y4+1:490.28531, y5+1:561.32397] [b2+1:-0.00022, b3+1:-0.00001, b4+1:0.00745, b5+1:0.00051];[y1+1:-0.00019, y2+1:0.00061, y3+1:0.00020, y4+1:-0.00183, y5+1:-0.00028] [b2+1:-0.89, b3+1:-0.02, b4+1:16.81, b5+1:0.94];[y1+1:-1.33, y2+1:2.36, y3+1:0.57, y4+1:-3.74, y5+1:-0.50] [b2+1:39130, b3+1:20039, b4+1:15806, b5+1:40452];[y1+1:646925, y2+1:63692, y3+1:45645, y4+1:37359, y5+1:217312] 9 47 0 0.000000 47 0 0.000000 +SmallCalibratible_Yeast 138 24.93026 139.00000 700896.56250 137 2.00000 569.31000 1136.60544 9.115 4.115 0 YLAKEEEKK YLAKEEEKK YLAKEEEKK 2 0 2 1136.60774 -0.00230 -2.02 P32589 Heat shock protein homolog SSE1 primary:SSE1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [642 to 650] R Q T [b2+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1, y8+2] [b2+1:277.15457];[y1+1:147.11275, y2+1:275.20749, y3+1:404.25388, y4+1:533.29297, y5+1:662.33759, y6+1:790.43121, y7+1:861.46716, y8+2:487.77914] [b2+1:-0.00010];[y1+1:-0.00006, y2+1:-0.00028, y3+1:0.00352, y4+1:0.00002, y5+1:0.00204, y6+1:0.00070, y7+1:-0.00046, y8+2:-0.00068] [b2+1:-0.35];[y1+1:-0.39, y2+1:-1.01, y3+1:8.72, y4+1:0.03, y5+1:3.08, y6+1:0.89, y7+1:-0.53, y8+2:-0.69] [b2+1:9078];[y1+1:21016, y2+1:5862, y3+1:2585, y4+1:2544, y5+1:6893, y6+1:6850, y7+1:21113, y8+2:4974] 9 48 0 0.000000 48 0 0.000000 +SmallCalibratible_Yeast 15 24.14259 194.00000 4623564.50000 13 2.00000 372.20541 742.39627 9.106 4.106 0 TAQQAPK TAQQAPK TAQQAPK 2 0 0 742.39735 -0.00108 -1.45 P05739 60S ribosomal protein L6-B primary:RPL6B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full:M cleaved [2 to 8] M W T [b1+1, b2+1, b3+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b1+1:102.05431, b2+1:173.09218, b3+1:301.15137];[y1+1:147.11290, y2+1:244.16571, y3+1:315.20309, y4+1:443.26187, y5+1:571.32025, y6+1:642.35962] [b1+1:-0.00065, b2+1:0.00011, b3+1:0.00072];[y1+1:0.00010, y2+1:0.00014, y3+1:0.00041, y4+1:0.00061, y5+1:0.00041, y6+1:0.00267] [b1+1:-6.42, b2+1:0.64, b3+1:2.40];[y1+1:0.65, y2+1:0.59, y3+1:1.31, y4+1:1.38, y5+1:0.73, y6+1:4.16] [b1+1:6241, b2+1:36419, b3+1:6527];[y1+1:99416, y2+1:149778, y3+1:44607, y4+1:19334, y5+1:90385, y6+1:36423] 9 49 0 0.000000 49 0 0.000000 +SmallCalibratible_Yeast 58 24.41947 122.00000 2370834.25000 51 2.00000 392.71863 783.42270 9.104 4.104 0 AAAHSSLK AAAHSSLK AAAHSSLK 2 0 0 783.42390 -0.00120 -1.53 Q12118 Small glutamine-rich tetratricopeptide repeat-containing protein 2 primary:SGT2 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [143 to 150] R E T [b2+1, b6+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1] [b2+1:143.08145, b6+1:525.23938];[y1+1:147.11270, y2+1:260.19678, y3+1:347.22910, y4+1:434.26169, y5+1:571.31458, y6+1:642.35455, y7+1:713.39398] [b2+1:-0.00005, b6+1:-0.00221];[y1+1:-0.00010, y2+1:-0.00009, y3+1:0.00020, y4+1:0.00076, y5+1:-0.00526, y6+1:-0.00240, y7+1:-0.00008] [b2+1:-0.37, b6+1:-4.21];[y1+1:-0.70, y2+1:-0.35, y3+1:0.57, y4+1:1.76, y5+1:-9.23, y6+1:-3.74, y7+1:-0.12] [b2+1:7601, b6+1:4942];[y1+1:188838, y2+1:15509, y3+1:6209, y4+1:7813, y5+1:5827, y6+1:5016, y7+1:3772] 9 50 0 0.000000 50 0 0.000000 +SmallCalibratible_Yeast 18 24.16941 155.00000 5676803.50000 17 2.00000 372.20544 742.39634 9.091 4.091 0 TAQQAPK TAQQAPK TAQQAPK 2 0 0 742.39735 -0.00102 -1.37 P05739 60S ribosomal protein L6-B primary:RPL6B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full:M cleaved [2 to 8] M W T [b1+1, b2+1, b6+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b1+1:102.05480, b2+1:173.09230, b6+1:597.31049];[y1+1:147.11298, y2+1:244.16582, y3+1:315.20313, y4+1:443.26077, y5+1:571.32031, y6+1:642.35699] [b1+1:-0.00015, b2+1:0.00023, b6+1:0.01138];[y1+1:0.00017, y2+1:0.00025, y3+1:0.00044, y4+1:-0.00049, y5+1:0.00048, y6+1:0.00004] [b1+1:-1.51, b2+1:1.35, b6+1:19.09];[y1+1:1.18, y2+1:1.03, y3+1:1.41, y4+1:-1.10, y5+1:0.83, y6+1:0.07] [b1+1:5357, b2+1:44665, b6+1:21477];[y1+1:96550, y2+1:142946, y3+1:42893, y4+1:23059, y5+1:102009, y6+1:39604] 9 51 0 0.000000 51 0 0.000000 +SmallCalibratible_Yeast 54 24.40345 125.00000 2692635.00000 51 2.00000 426.21741 850.42026 9.063 4.063 0 AAATAAMTK AAATAAM[Common Variable:Oxidation on M]TK AAATAAMTK 1 Oxidation on M O O 1 0 850.42185 -0.00159 -1.87 P16521 Elongation factor 3A primary:YEF3 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [188 to 196] K A T [b2+1, b3+1, b8+1];[y1+1, y3+1, y4+1, y5+1, y6+1, y7+1] [b2+1:143.08131, b3+1:214.11771, b8+1:705.33575];[y1+1:147.11270, y3+1:395.20087, y4+1:466.23291, y5+1:537.26990, y6+1:638.31476, y7+1:709.35370] [b2+1:-0.00019, b3+1:-0.00091, b8+1:0.01215];[y1+1:-0.00010, y3+1:0.00498, y4+1:-0.00009, y5+1:-0.00021, y6+1:-0.00303, y7+1:-0.00120] [b2+1:-1.34, b3+1:-4.28, b8+1:17.25];[y1+1:-0.70, y3+1:12.64, y4+1:-0.18, y5+1:-0.40, y6+1:-4.75, y7+1:-1.70] [b2+1:42536, b3+1:7866, b8+1:11986];[y1+1:47590, y3+1:3179, y4+1:6145, y5+1:15041, y6+1:18686, y7+1:16813] 9 52 0 0.000000 52 0 0.000000 +SmallCalibratible_Yeast 38 24.29533 122.00000 4170400.00000 36 2.00000 425.72345 849.43235 9.051 4.051 0 KDFNQAK KDFNQAK KDFNQAK 3 0 1 849.43447 -0.00212 -2.50 P46784 40S ribosomal protein S10-B primary:RPS10B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [25 to 31] K H T [b1+1, b2+1, b4+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b1+1:129.10201, b2+1:244.12909, b4+1:505.24893];[y1+1:147.11269, y2+1:218.15005, y3+1:346.20844, y4+1:460.25500, y5+1:607.31567, y6+1:722.34338] [b1+1:-0.00023, b2+1:-0.00009, b4+1:0.00841];[y1+1:-0.00012, y2+1:0.00014, y3+1:-0.00006, y4+1:0.00358, y5+1:-0.00416, y6+1:-0.00340] [b1+1:-1.83, b2+1:-0.38, b4+1:16.67];[y1+1:-0.81, y2+1:0.63, y3+1:-0.17, y4+1:7.80, y5+1:-6.87, y6+1:-4.71] [b1+1:86091, b2+1:7872, b4+1:6071];[y1+1:52137, y2+1:18629, y3+1:6731, y4+1:8146, y5+1:6975, y6+1:18784] 9 53 0 0.000000 53 0 0.000000 +SmallCalibratible_Yeast 8 24.10040 101.00000 7435938.50000 6 2.00000 423.74268 845.47080 8.298 3.298 0 KITSNQR KITSNQR KITSNQR 1 0 1 845.47191 -0.00112 -1.32 P00560 Phosphoglycerate kinase primary:PGK1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [33 to 39] K I T [b1+1, b2+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b1+1:129.10223, b2+1:242.18538];[y1+1:175.11899, y2+1:303.17685, y3+1:417.22260, y4+1:504.25311, y5+1:605.30096, y6+1:718.38574] [b1+1:-0.00001, b2+1:-0.00092];[y1+1:0.00004, y2+1:-0.00068, y3+1:0.00214, y4+1:0.00063, y5+1:0.00080, y6+1:0.00151] [b1+1:-0.04, b2+1:-3.83];[y1+1:0.21, y2+1:-2.25, y3+1:5.14, y4+1:1.25, y5+1:1.32, y6+1:2.11] [b1+1:845213, b2+1:21123];[y1+1:136476, y2+1:17855, y3+1:21586, y4+1:106881, y5+1:723184, y6+1:343364] 8 54 0 0.000000 54 0 0.000000 +SmallCalibratible_Yeast 105 24.72056 89.00000 5727217.00000 103 2.00000 448.24701 894.47947 8.164 3.164 0 LKEYQSK LKEYQSK LKEYQSK 1 0 1 894.48108 -0.00162 -1.81 P40212|Q12690 60S ribosomal protein L13-B|60S ribosomal protein L13-A primary:RPL13B|primary:RPL13A Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [116 to 122] R I T [b2+1, b3+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b2+1:242.18658, b3+1:371.22955];[y1+1:147.11281, y2+1:234.14493, y3+1:362.20364, y4+1:525.26648, y5+1:654.30981, y6+1:782.40503] [b2+1:0.00028, b3+1:0.00066];[y1+1:0.00000, y2+1:0.00010, y3+1:0.00023, y4+1:-0.00026, y5+1:0.00048, y6+1:0.00073] [b2+1:1.17, b3+1:1.77];[y1+1:0.03, y2+1:0.41, y3+1:0.65, y4+1:-0.49, y5+1:0.74, y6+1:0.94] [b2+1:24123, b3+1:28235];[y1+1:150861, y2+1:177690, y3+1:76304, y4+1:114902, y5+1:238192, y6+1:128055] 8 55 0 0.000000 55 0 0.000000 +SmallCalibratible_Yeast 60 24.42766 103.00000 2125701.75000 51 2.00000 477.23694 952.45932 8.142 3.084 0 TVPHENEK TVPHENEK TVPHENEK 1 0 0 952.46141 -0.00209 -2.19 P40075 Vesicle-associated membrane protein-associated protein SCS2 primary:SCS2 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [191 to 198] K Q T [b1+1, b2+1];[y1+1, y2+1, y3+1, y4+1, y5+2, y6+1] [b1+1:102.05451, b2+1:201.12326];[y1+1:147.11266, y2+1:276.15482, y3+1:390.19754, y4+1:519.24005, y5+2:328.65326, y6+1:753.35223] [b1+1:-0.00044, b2+1:-0.00011];[y1+1:-0.00015, y2+1:-0.00058, y3+1:-0.00078, y4+1:-0.00087, y5+2:-0.00059, y6+1:-0.00036] [b1+1:-4.38, b2+1:-0.54];[y1+1:-1.02, y2+1:-2.11, y3+1:-2.02, y4+1:-1.67, y5+2:-0.90, y6+1:-0.48] [b1+1:12982, b2+1:28596];[y1+1:72614, y2+1:27528, y3+1:21465, y4+1:35776, y5+2:51950, y6+1:50573] 8 56 0 0.000000 56 0 0.000000 +SmallCalibratible_Yeast 9 24.10424 80.00000 7491576.50000 6 2.00000 379.19510 756.37564 8.126 3.126 0 GIDHTSK GIDHTSK GIDHTSK 2 0 0 756.37662 -0.00097 -1.29 P0CX49|P0CX50 60S ribosomal protein L18-A|60S ribosomal protein L18-B primary:RPL18A|primary:RPL18B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full:M cleaved [2 to 8] M Q T [b2+1, b5+1, b6+1];[y1+1, y2+1, y3+1, y4+1, y5+2] [b2+1:171.11273, b5+1:524.24573, b6+1:611.28070];[y1+1:147.11275, y2+1:234.14481, y3+1:335.19238, y4+1:472.25153, y5+2:294.14279] [b2+1:-0.00007, b5+1:-0.00061, b6+1:0.00233];[y1+1:-0.00006, y2+1:-0.00003, y3+1:-0.00013, y4+1:0.00010, y5+2:-0.00006] [b2+1:-0.42, b5+1:-1.17, b6+1:3.83];[y1+1:-0.39, y2+1:-0.11, y3+1:-0.38, y4+1:0.22, y5+2:-0.10] [b2+1:137197, b5+1:21224, b6+1:18920];[y1+1:204426, y2+1:124059, y3+1:241047, y4+1:143222, y5+2:52606] 8 57 0 0.000000 57 0 0.000000 +SmallCalibratible_Yeast 54 24.40345 125.00000 2692635.00000 51 2.00000 425.72391 849.43326 8.117 3.117 0 KDFNQAK KDFNQAK KDFNQAK 3 0 1 849.43447 -0.00120 -1.42 P46784 40S ribosomal protein S10-B primary:RPS10B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [25 to 31] K H T [b1+1, b2+1, b6+1];[y1+1, y2+1, y4+1, y5+1, y6+1] [b1+1:129.10202, b2+1:244.12894, b6+1:704.33710];[y1+1:147.11270, y2+1:218.14981, y4+1:460.25186, y5+1:607.31952, y6+1:722.34650] [b1+1:-0.00022, b2+1:-0.00025, b6+1:0.00088];[y1+1:-0.00010, y2+1:-0.00011, y4+1:0.00044, y5+1:-0.00032, y6+1:-0.00028] [b1+1:-1.71, b2+1:-1.01, b6+1:1.25];[y1+1:-0.70, y2+1:-0.49, y4+1:0.96, y5+1:-0.52, y6+1:-0.39] [b1+1:160680, b2+1:6755, b6+1:4632];[y1+1:47590, y2+1:15092, y4+1:7790, y5+1:21456, y6+1:50689] 8 58 0 0.000000 58 0 0.000000 +SmallCalibratible_Yeast 24 24.20802 122.00000 9484414.00000 22 2.00000 410.68274 819.35093 8.084 3.084 0 GNVCGDAK GNVC[Common Fixed:Carbamidomethyl on C]GDAK GNVCGDAK 2 Carbamidomethyl on C C2H3NO C2H3NO 0 0 819.35450 -0.00358 -4.36 P02994 Elongation factor 1-alpha primary:TEF1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [321 to 328] R N T [b2+1, b3+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b2+1:172.07169, b3+1:271.14084];[y1+1:147.11272, y2+1:218.14975, y3+1:333.17700, y4+1:390.19812, y5+1:550.22766, y6+1:649.29578] [b2+1:0.00002, b3+1:0.00076];[y1+1:-0.00009, y2+1:-0.00017, y3+1:0.00014, y4+1:-0.00020, y5+1:-0.00131, y6+1:-0.00161] [b2+1:0.11, b3+1:2.80];[y1+1:-0.60, y2+1:-0.77, y3+1:0.42, y4+1:-0.53, y5+1:-2.39, y6+1:-2.48] [b2+1:96795, b3+1:20611];[y1+1:345647, y2+1:109224, y3+1:13355, y4+1:69913, y5+1:109575, y6+1:36042] 8 59 0 0.000000 59 0 0.000000 +SmallCalibratible_Yeast 29 24.24261 118.00000 8336273.50000 28 2.00000 410.68314 819.35172 8.081 3.081 0 GNVCGDAK GNVC[Common Fixed:Carbamidomethyl on C]GDAK GNVCGDAK 2 Carbamidomethyl on C C2H3NO C2H3NO 0 0 819.35450 -0.00278 -3.40 P02994 Elongation factor 1-alpha primary:TEF1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [321 to 328] R N T [b2+1, b3+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b2+1:172.07185, b3+1:271.13983];[y1+1:147.11282, y2+1:218.14987, y3+1:333.17645, y4+1:390.19809, y5+1:550.22888, y6+1:649.29456] [b2+1:0.00019, b3+1:-0.00025];[y1+1:0.00002, y2+1:-0.00005, y3+1:-0.00041, y4+1:-0.00024, y5+1:-0.00009, y6+1:-0.00283] [b2+1:1.09, b3+1:-0.93];[y1+1:0.13, y2+1:-0.21, y3+1:-1.23, y4+1:-0.60, y5+1:-0.17, y6+1:-4.37] [b2+1:98631, b3+1:22176];[y1+1:231368, y2+1:100123, y3+1:14237, y4+1:69789, y5+1:105852, y6+1:30238] 8 60 0 0.000000 60 0 0.000000 +SmallCalibratible_Yeast 66 24.46610 86.00000 955637.06250 61 2.00000 527.26270 1052.51084 8.080 3.080 0 EQYAAESKK EQYAAESKK EQYAAESKK 1 0 1 1052.51384 -0.00300 -2.85 P26321 60S ribosomal protein L5 primary:RPL5 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [263 to 271] K Y T [b2+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1] [b2+1:258.10779];[y1+1:147.11266, y2+1:275.20703, y3+1:362.23959, y4+1:491.28549, y5+1:562.31885, y6+1:633.35608, y7+1:796.42090] [b2+1:-0.00066];[y1+1:-0.00015, y2+1:-0.00074, y3+1:-0.00020, y4+1:0.00310, y5+1:-0.00065, y6+1:-0.00054, y7+1:0.00095] [b2+1:-2.56];[y1+1:-1.02, y2+1:-2.68, y3+1:-0.56, y4+1:6.33, y5+1:-1.17, y6+1:-0.85, y7+1:1.20] [b2+1:6281];[y1+1:21620, y2+1:4137, y3+1:6927, y4+1:3916, y5+1:9511, y6+1:12340, y7+1:11364] 8 61 0 0.000000 61 0 0.000000 +SmallCalibratible_Yeast 98 24.67660 103.00000 11292095.00000 96 2.00000 520.27332 1038.53208 8.074 3.074 0 SYTNTTKPK SYTNTTKPK SYTNTTKPK 1 0 1 1038.53457 -0.00250 -2.40 P0C2I3|P0C2I5|P0C2I6|P0C2I7|P0C2I8|P0C2J1|P0CX70|P0CX71|P0CX72|P0CX73|P0CX74|P0CX75|P0CX76|P47098|Q03434|Q03612|Q12085|Q12141|Q12273|Q12414|Q6Q5H1|Q92392 Transposon Ty1-DR6 Gag-Pol polyprotein|Transposon Ty1-LR2 Gag-Pol polyprotein|Transposon Ty1-LR3 Gag-Pol polyprotein|Transposon Ty1-LR4 Gag-Pol polyprotein|Transposon Ty1-LR4 Gag polyprotein|Transposon Ty1-PR3 Gag-Pol polyprotein|Transposon Ty1-DR6 Gag polyprotein|Transposon Ty1-ER1 Gag polyprotein|Transposon Ty1-LR2 Gag polyprotein|Transposon Ty1-PL Gag polyprotein|Transposon Ty1-JR1 Gag polyprotein|Transposon Ty1-LR3 Gag polyprotein|Transposon Ty1-ML2 Gag polyprotein|Transposon Ty1-JR1 Gag-Pol polyprotein|Transposon Ty1-ML2 Gag-Pol polyprotein|Transposon Ty1-ER1 Gag-Pol polyprotein|Transposon Ty1-GR1 Gag polyprotein|Transposon Ty1-GR1 Gag-Pol polyprotein|Transposon Ty1-OL Gag-Pol polyprotein|Transposon Ty1-PL Gag-Pol polyprotein|Transposon Ty1-PR3 Gag polyprotein|Transposon Ty1-OL Gag polyprotein primary:TY1B-DR6|primary:TY1B-LR2|primary:TY1B-LR3|primary:TY1B-LR4|primary:TY1A-LR4|primary:TY1B-PR3|primary:TY1A-DR6|primary:TY1A-ER1|primary:TY1A-LR2|primary:TY1A-PL|primary:TY1A-JR1|primary:TY1A-LR3|primary:TY1A-ML2|primary:TY1B-JR1|primary:TY1B-ML2|primary:TY1B-ER1|primary:TY1A-GR1|primary:TY1B-GR1|primary:TY1B-OL|primary:TY1B-PL|primary:TY1A-PR3|primary:TY1A-OL Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [373 to 381] R V T [b2+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1, y7+1] [b2+1:251.10268];[y1+1:147.11263, y2+1:244.16566, y3+1:372.26038, y4+1:473.30948, y5+1:574.35229, y6+1:688.39923, y7+1:789.44611] [b2+1:0.00004];[y1+1:-0.00018, y2+1:0.00010, y3+1:-0.00016, y4+1:0.00127, y5+1:-0.00359, y6+1:0.00042, y7+1:-0.00039] [b2+1:0.17];[y1+1:-1.23, y2+1:0.40, y3+1:-0.42, y4+1:2.69, y5+1:-6.27, y6+1:0.60, y7+1:-0.49] [b2+1:52610];[y1+1:481949, y2+1:111722, y3+1:22549, y4+1:20165, y5+1:33341, y6+1:38069, y7+1:69921] 8 62 0 0.000000 62 0 0.000000 +SmallCalibratible_Yeast 76 24.53828 134.00000 6681069.50000 73 2.00000 406.18201 810.34946 8.069 3.031 0 SFNDNSK SFNDNSK SFNDNSK 2 0 0 810.35080 -0.00134 -1.65 P06169 Pyruvate decarboxylase isozyme 1 primary:PDC1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [526 to 532] K I T [b2+1, b3+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b2+1:235.10762, b3+1:349.14383];[y1+1:147.11272, y2+1:234.14488, y3+1:348.18820, y4+1:463.21576, y5+1:577.25751, y6+1:724.32660] [b2+1:-0.00010, b3+1:-0.00682];[y1+1:-0.00009, y2+1:0.00005, y3+1:0.00044, y4+1:0.00106, y5+1:-0.00012, y6+1:0.00055] [b2+1:-0.42, b3+1:-19.58];[y1+1:-0.60, y2+1:0.21, y3+1:1.27, y4+1:2.29, y5+1:-0.21, y6+1:0.77] [b2+1:16954, b3+1:6826];[y1+1:147419, y2+1:69672, y3+1:34438, y4+1:43227, y5+1:127621, y6+1:12144] 8 63 0 0.000000 63 0 0.000000 +SmallCalibratible_Yeast 132 24.89126 86.00000 26362200.00000 131 2.00000 416.24973 830.48490 7.259 2.136 0 LISENKK LISENKK LISENKK 2 0 1 830.48617 -0.00127 -1.53 P38013 Peroxiredoxin type-2 primary:AHP1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [42 to 48] K V T [b2+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b2+1:227.17537];[y1+1:147.11279, y2+1:275.20764, y3+1:389.25098, y4+1:518.29272, y5+1:605.32538, y6+1:718.40894] [b2+1:-0.00004];[y1+1:-0.00001, y2+1:-0.00013, y3+1:0.00028, y4+1:-0.00056, y5+1:0.00006, y6+1:-0.00044] [b2+1:-0.16];[y1+1:-0.08, y2+1:-0.46, y3+1:0.73, y4+1:-1.09, y5+1:0.10, y6+1:-0.62] [b2+1:395856];[y1+1:326529, y2+1:737012, y3+1:769501, y4+1:237427, y5+1:3437142, y6+1:918963] 7 64 0 0.000000 64 0 0.000000 +SmallCalibratible_Yeast 124 24.84062 101.00000 17314394.00000 123 2.00000 416.24960 830.48465 7.250 2.133 0 LISENKK LISENKK LISENKK 2 0 1 830.48617 -0.00151 -1.82 P38013 Peroxiredoxin type-2 primary:AHP1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [42 to 48] K V T [b2+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b2+1:227.17531];[y1+1:147.11272, y2+1:275.20792, y3+1:389.25085, y4+1:518.29333, y5+1:605.32562, y6+1:718.40948] [b2+1:-0.00010];[y1+1:-0.00009, y2+1:0.00015, y3+1:0.00016, y4+1:0.00005, y5+1:0.00031, y6+1:0.00010] [b2+1:-0.43];[y1+1:-0.60, y2+1:0.54, y3+1:0.41, y4+1:0.09, y5+1:0.51, y6+1:0.15] [b2+1:189242];[y1+1:250624, y2+1:469895, y3+1:555761, y4+1:150798, y5+1:2176523, y6+1:529012] 7 65 0 0.000000 65 0 0.000000 +SmallCalibratible_Yeast 94 24.64554 180.00000 2749168.75000 91 2.00000 399.68973 797.36490 7.168 2.168 0 EGNPEPR EGNPEPR EGNPEPR 1 0 0 797.36678 -0.00188 -2.36 P28272 Dihydroorotate dehydrogenase (fumarate) primary:URA1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [54 to 60] R Y T [b2+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b2+1:187.07137];[y1+1:175.11871, y2+1:272.17160, y3+1:401.21292, y4+1:498.26706, y5+1:612.31567, y6+1:669.33282] [b2+1:0.00003];[y1+1:-0.00024, y2+1:-0.00012, y3+1:-0.00139, y4+1:-0.00001, y5+1:0.00567, y6+1:0.00136] [b2+1:0.17];[y1+1:-1.37, y2+1:-0.43, y3+1:-3.47, y4+1:-0.03, y5+1:9.28, y6+1:2.04] [b2+1:16913];[y1+1:92086, y2+1:186304, y3+1:23418, y4+1:121472, y5+1:5664, y6+1:16803] 7 66 0 0.000000 66 0 0.000000 +SmallCalibratible_Yeast 14 24.13888 88.00000 6256481.50000 13 2.00000 379.19501 756.37546 7.159 2.159 0 GIDHTSK GIDHTSK GIDHTSK 2 0 0 756.37662 -0.00116 -1.53 P0CX49|P0CX50 60S ribosomal protein L18-A|60S ribosomal protein L18-B primary:RPL18A|primary:RPL18B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full:M cleaved [2 to 8] M Q T [b2+1, b5+1];[y1+1, y2+1, y3+1, y4+1, y5+1] [b2+1:171.11276, b5+1:524.24670];[y1+1:147.11272, y2+1:234.14485, y3+1:335.19238, y4+1:472.25153, y5+1:587.27863] [b2+1:-0.00004, b5+1:0.00037];[y1+1:-0.00009, y2+1:0.00002, y3+1:-0.00013, y4+1:0.00010, y5+1:0.00026] [b2+1:-0.25, b5+1:0.70];[y1+1:-0.60, y2+1:0.08, y3+1:-0.38, y4+1:0.22, y5+1:0.44] [b2+1:110463, b5+1:27545];[y1+1:192327, y2+1:78770, y3+1:181192, y4+1:117773, y5+1:287809] 7 67 0 0.000000 67 0 0.000000 +SmallCalibratible_Yeast 127 24.85172 134.00000 5469747.00000 123 3.00000 304.49414 910.46059 7.159 2.159 0 QIVHDSGR QIVHDSGR QIVHDSGR 3 0 0 910.46208 -0.00149 -1.63 P0CX45|P0CX46 60S ribosomal protein L2-A|60S ribosomal protein L2-B primary:RPL2A|primary:RPL2B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [47 to 54] K G T [b1+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+2] [b1+1:129.06578];[y1+1:175.11867, y2+1:232.14012, y3+1:319.17215, y4+1:434.19873, y5+1:571.25800, y6+2:335.66687] [b1+1:-0.00007];[y1+1:-0.00028, y2+1:-0.00029, y3+1:-0.00029, y4+1:-0.00066, y5+1:-0.00030, y6+2:-0.00025] [b1+1:-0.57];[y1+1:-1.63, y2+1:-1.27, y3+1:-0.93, y4+1:-1.52, y5+1:-0.53, y6+2:-0.37] [b1+1:54253];[y1+1:116069, y2+1:24560, y3+1:145421, y4+1:282579, y5+1:61913, y6+2:183101] 7 68 0 0.000000 68 0 0.000000 +SmallCalibratible_Yeast 101 24.68839 151.00000 2685777.50000 96 3.00000 318.82932 953.46612 7.145 2.145 0 DAHGVTQAR DAHGVTQAR DAHGVTQAR 2 0 0 953.46789 -0.00178 -1.86 P05756 40S ribosomal protein S13 primary:RPS13 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [56 to 64] R V T [b3+1, b4+1, b5+1];[y1+1, y2+1, y3+1, y4+1] [b3+1:324.12991, b4+1:381.15155, b5+1:480.22302];[y1+1:175.11861, y2+1:246.15584, y3+1:374.21393, y4+1:475.26093] [b3+1:-0.00033, b4+1:-0.00016, b5+1:0.00290];[y1+1:-0.00035, y2+1:-0.00023, y3+1:-0.00072, y4+1:-0.00140] [b3+1:-1.03, b4+1:-0.42, b5+1:6.05];[y1+1:-1.98, y2+1:-0.93, y3+1:-1.92, y4+1:-2.94] [b3+1:56077, b4+1:69259, b5+1:11138];[y1+1:125960, y2+1:79567, y3+1:38184, y4+1:9747] 7 69 0 0.000000 69 0 0.000000 +SmallCalibratible_Yeast 86 24.59972 121.00000 6962577.50000 80 2.00000 406.18185 810.34916 7.103 2.053 0 SFNDNSK SFNDNSK SFNDNSK 2 0 0 810.35080 -0.00164 -2.02 P06169 Pyruvate decarboxylase isozyme 1 primary:PDC1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [526 to 532] K I T [b2+1];[y1+1, y2+1, y3+1, y4+1, y5+1, y6+1] [b2+1:235.10736];[y1+1:147.11269, y2+1:234.14481, y3+1:348.18790, y4+1:463.21432, y5+1:577.25739, y6+1:724.32831] [b2+1:-0.00036];[y1+1:-0.00012, y2+1:-0.00003, y3+1:0.00014, y4+1:-0.00038, y5+1:-0.00025, y6+1:0.00226] [b2+1:-1.53];[y1+1:-0.81, y2+1:-0.11, y3+1:0.39, y4+1:-0.82, y5+1:-0.43, y6+1:3.13] [b2+1:36562];[y1+1:150975, y2+1:128643, y3+1:82761, y4+1:80542, y5+1:217018, y6+1:22005] 7 70 0 0.000000 70 0 0.000000 +SmallCalibratible_Yeast 5 24.07245 141.00000 1608355.00000 1 2.00000 537.76172 1073.50888 7.057 2.057 0 RVDEGGAQDK RVDEGGAQDK RVDEGGAQDK 2 0 1 1073.51015 -0.00127 -1.18 P02829|P15108 ATP-dependent molecular chaperone HSP82|ATP-dependent molecular chaperone HSC82 primary:HSP82|primary:HSC82 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [628 to 637]|[624 to 633] K T T [b3+1, b6+1, b7+1, b8+1, b9+1];[y1+1, y2+1] [b3+1:371.20560, b6+1:614.28906, b7+1:685.32825, b8+1:813.39478, b9+1:928.40680];[y1+1:147.11270, y2+1:262.14230] [b3+1:0.00185, b6+1:-0.00020, b7+1:0.00187, b8+1:0.00982, b9+1:-0.00510];[y1+1:-0.00010, y2+1:0.00256] [b3+1:5.00, b6+1:-0.33, b7+1:2.73, b8+1:12.09, b9+1:-5.50];[y1+1:-0.70, y2+1:9.79] [b3+1:4309, b6+1:9001, b7+1:8955, b8+1:3413, b9+1:6062];[y1+1:50320, y2+1:9405] 7 71 0 0.000000 71 0 0.000000 +SmallCalibratible_Yeast 134 24.89863 116.00000 14394799.00000 131 2.00000 401.72385 801.43314 6.159 1.159 0 AENSLLR AENSLLR AENSLLR 1 0 0 801.43447 -0.00133 -1.66 P38825 Protein TOM71 primary:TOM71 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full:M cleaved [2 to 8] M F T [b2+1, b3+1, b6+1];[y1+1, y2+1, y3+1] [b2+1:201.08690, b3+1:315.12750, b6+1:628.33575];[y1+1:175.11870, y2+1:288.20276, y3+1:401.28653] [b2+1:-0.00008, b3+1:-0.00241, b6+1:0.00569];[y1+1:-0.00025, y2+1:-0.00026, y3+1:-0.00055] [b2+1:-0.42, b3+1:-7.67, b6+1:9.07];[y1+1:-1.46, y2+1:-0.90, y3+1:-1.38] [b2+1:139050, b3+1:16307, b6+1:27622];[y1+1:803431, y2+1:268519, y3+1:1033894] 6 72 0 0.000000 72 0 0.000000 +SmallCalibratible_Yeast 106 24.72421 200.00000 2620940.00000 103 2.00000 575.25354 1148.49253 6.145 1.007 0 KGDDQQDDTK KGDDQQDDTK KGDDQQDDTK 1 0 1 1148.49456 -0.00203 -1.77 P53911 Chromatin modification-related protein EAF7 primary:EAF7 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [360 to 369] K K T [b1+1, b2+1, b3+1];[y1+1, y2+1, y3+1] [b1+1:129.10216, b2+1:186.12135, b3+1:301.15051];[y1+1:147.11282, y2+1:248.16026, y3+1:363.18793] [b1+1:-0.00008, b2+1:-0.00235, b3+1:-0.00013];[y1+1:0.00002, y2+1:-0.00022, y3+1:0.00050] [b1+1:-0.64, b2+1:-12.70, b3+1:-0.44];[y1+1:0.13, y2+1:-0.89, y3+1:1.38] [b1+1:190384, b2+1:8518, b3+1:5381];[y1+1:130024, y2+1:22224, y3+1:24189] 6 73 0 0.000000 73 0 0.000000 +SmallCalibratible_Yeast 85 24.59590 173.00000 2738646.75000 80 2.00000 533.75897 1065.50339 6.138 1.138 0 KHEEMHQK KHEEMHQK KHEEMHQK 1 0 1 1065.50256 0.00083 0.78 P25582 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase primary:SPB1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [597 to 604] R Q T [b1+1, b2+1, b4+1];[y1+1, y2+1, y4+1] [b1+1:129.10199, b2+1:266.16064, b4+1:524.25647];[y1+1:147.11266, y2+1:275.17252, y4+1:543.26825] [b1+1:-0.00025, b2+1:-0.00051, b4+1:0.01013];[y1+1:-0.00015, y2+1:0.00113, y4+1:-0.00253] [b1+1:-1.95, b2+1:-1.91, b4+1:19.36];[y1+1:-1.02, y2+1:4.14, y4+1:-4.66] [b1+1:239467, b2+1:20491, b4+1:19553];[y1+1:83884, y2+1:2723, y4+1:13048] 6 74 0 0.000000 74 0 0.000000 +SmallCalibratible_Yeast 50 24.37209 138.00000 977848.00000 46 2.00000 399.68997 797.36539 6.120 1.120 0 YGSTNTR YGSTNTR YGSTNTR 1 0 0 797.36678 -0.00139 -1.74 O14467 Multiprotein-bridging factor 1 primary:MBF1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [48 to 54] K G T [b2+1];[y1+1, y3+1, y4+1, y5+1, y6+1] [b2+1:221.09094];[y1+1:175.11887, y3+1:390.21011, y4+1:491.25766, y5+1:578.28912, y6+1:635.31171] [b2+1:-0.00113];[y1+1:-0.00009, y3+1:0.00056, y4+1:0.00042, y5+1:-0.00014, y6+1:0.00098] [b2+1:-5.12];[y1+1:-0.50, y3+1:1.43, y4+1:0.86, y5+1:-0.24, y6+1:1.54] [b2+1:5073];[y1+1:50615, y3+1:2802, y4+1:4987, y5+1:13397, y6+1:40481] 6 75 0 0.000000 75 0 0.000000 +SmallCalibratible_Yeast 134 24.89863 116.00000 14394799.00000 131 2.00000 402.70795 803.40134 6.105 1.105 0 QDITAEK QDITAEK QDITAEK 1 0 0 803.40250 -0.00116 -1.44 P31111 Synaptonemal complex protein ZIP1 primary:ZIP1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [697 to 703] K L T [b1+1, b2+1, b3+1, b4+1];[y1+1, y5+1] [b1+1:129.06635, b2+1:244.09332, b3+1:357.17676, b4+1:458.22247];[y1+1:147.11267, y5+1:561.32434] [b1+1:0.00049, b2+1:0.00053, b3+1:-0.00010, b4+1:-0.00207];[y1+1:-0.00013, y5+1:0.00009] [b1+1:3.84, b2+1:2.16, b3+1:-0.29, b4+1:-4.52];[y1+1:-0.91, y5+1:0.16] [b1+1:60214, b2+1:35459, b3+1:21734, b4+1:17330];[y1+1:895226, y5+1:481634] 6 76 0 0.000000 76 0 0.000000 +SmallCalibratible_Yeast 108 24.73211 68.00000 6607219.50000 103 2.00000 344.18665 686.35874 6.100 1.100 0 TPDAGVK TPDAGVK TPDAGVK 1 0 0 686.35990 -0.00117 -1.70 P40576 Inner membrane assembly complex subunit 22 primary:INA22 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [155 to 161] K N T [b1+1, b2+1, b6+1];[y1+1, y2+1, y3+1] [b1+1:102.05454, b2+1:199.10774, b6+1:541.25964];[y1+1:147.11269, y2+1:246.18109, y3+1:303.20276] [b1+1:-0.00041, b2+1:0.00002, b6+1:-0.00201];[y1+1:-0.00012, y2+1:-0.00013, y3+1:0.00008] [b1+1:-4.08, b2+1:0.12, b6+1:-3.72];[y1+1:-0.81, y2+1:-0.52, y3+1:0.25] [b1+1:112122, b2+1:61282, b6+1:23263];[y1+1:397855, y2+1:52976, y3+1:12281] 6 77 0 0.000000 77 0 0.000000 +SmallCalibratible_Yeast 68 24.47408 142.00000 343780.00000 61 2.00000 483.74689 965.47922 6.065 1.065 0 YKDPQSTK YKDPQSTK YKDPQSTK 1 0 1 965.48181 -0.00259 -2.68 Q12230 Sphingolipid long chain base-responsive protein LSP1 primary:LSP1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [158 to 165] K I T [y1+1, y2+1, y3+1, y5+1, y6+1, y7+1] [y1+1:147.11267, y2+1:248.16101, y3+1:335.19147, y5+1:560.30353, y6+1:675.33124, y7+1:803.42511] [y1+1:-0.00013, y2+1:0.00053, y3+1:-0.00104, y5+1:-0.00032, y6+1:0.00044, y7+1:-0.00065] [y1+1:-0.91, y2+1:2.14, y3+1:-3.12, y5+1:-0.58, y6+1:0.66, y7+1:-0.81] [y1+1:9164, y2+1:3057, y3+1:1567, y5+1:5040, y6+1:2526, y7+1:893] 6 78 0 0.000000 78 0 0.000000 +SmallCalibratible_Yeast 128 24.85530 119.00000 203975.84375 123 1.00000 865.44122 864.43395 6.052 1.052 0 FGSDPSKK FGSDPSKK FGSDPSKK 1 0 1 864.43413 -0.00019 -0.21 P43616 Cys-Gly metallodipeptidase DUG1 primary:DUG1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [88 to 95] R T T [b4+1, b5+1];[y1+1, y2+1, y3+1, y4+1] [b4+1:407.15344, b5+1:504.20471];[y1+1:147.11273, y2+1:275.20673, y3+1:362.23795, y4+1:459.29263] [b4+1:-0.00268, b5+1:-0.00418];[y1+1:-0.00007, y2+1:-0.00104, y3+1:-0.00185, y4+1:0.00007] [b4+1:-6.61, b5+1:-8.30];[y1+1:-0.49, y2+1:-3.80, y3+1:-5.12, y4+1:0.16] [b4+1:668, b5+1:398];[y1+1:1382, y2+1:1207, y3+1:334, y4+1:6708] 6 79 0 0.000000 79 0 0.000000 +SmallCalibratible_Yeast 11 24.11163 129.00000 4280903.50000 6 2.00000 491.76181 981.50907 6.041 1.041 0 NPSQRPQR NPSQRPQR NPSQRPQR 1 0 1 981.51043 -0.00136 -1.38 P46784 40S ribosomal protein S10-B primary:RPS10B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [96 to 103] R R T [b2+1, b5+1, b7+1];[y1+1, y3+1, y6+1] [b2+1:212.10332, b5+1:583.29639, b7+1:808.40485];[y1+1:175.11894, y3+1:400.22925, y6+1:771.42639] [b2+1:0.00035, b5+1:0.00170, b7+1:-0.00118];[y1+1:-0.00001, y3+1:-0.00105, y6+1:0.00438] [b2+1:1.66, b5+1:2.92, b7+1:-1.46];[y1+1:-0.06, y3+1:-2.62, y6+1:5.69] [b2+1:11735, b5+1:7949, b7+1:12609];[y1+1:90784, y3+1:47883, y6+1:5297] 6 80 0 0.000000 80 0 0.000000 +SmallCalibratible_Yeast 94 24.64554 180.00000 2749168.75000 91 2.00000 400.21848 798.42240 6.036 1.036 0 APQQVEK APQQVEK APQQVEK 1 0 0 798.42357 -0.00117 -1.46 Q05911 Adenylosuccinate lyase primary:ADE13 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [450 to 456] R F T [b3+1];[y1+1, y2+1, y4+1, y5+1, y6+1] [b3+1:297.15393];[y1+1:147.11263, y2+1:276.15628, y4+1:503.28159, y5+1:631.34045, y6+1:728.39484] [b3+1:-0.00180];[y1+1:-0.00018, y2+1:0.00088, y4+1:-0.00080, y5+1:-0.00051, y6+1:0.00111] [b3+1:-6.08];[y1+1:-1.23, y2+1:3.21, y4+1:-1.60, y5+1:-0.81, y6+1:1.52] [b3+1:4959];[y1+1:62644, y2+1:8462, y4+1:5869, y5+1:10413, y6+1:6926] 6 81 0 0.000000 81 0 0.000000 +SmallCalibratible_Yeast 126 24.84802 116.00000 9321302.00000 123 3.00000 404.21399 1209.62014 5.144 0.144 0 DINTFAMRVK DINTFAM[Common Variable:Oxidation on M]RVK DINTFAMRVK 1 Oxidation on M O O 1 1 1209.61759 0.00255 2.10 Q12460 Nucleolar protein 56 primary:NOP56 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [187 to 196] K E T [b2+1, b4+1];[y1+1, y2+1, y3+1] [b2+1:229.11787, b4+1:444.21634];[y1+1:147.11261, y2+1:246.18088, y3+1:402.27512] [b2+1:-0.00041, b4+1:0.00745];[y1+1:-0.00019, y2+1:-0.00034, y3+1:-0.00721] [b2+1:-1.79, b4+1:16.81];[y1+1:-1.33, y2+1:-1.39, y3+1:-17.98] [b2+1:33998, b4+1:15806];[y1+1:646925, y2+1:386650, y3+1:256644] 5 82 0 0.000000 82 0 0.000000 +SmallCalibratible_Yeast 124 24.84062 101.00000 17314394.00000 123 2.00000 414.25223 826.48990 5.059 0.059 0 PVLEKNK PVLEKNK PVLEKNK 1 0 1 826.49125 -0.00135 -1.63 Q07589 Uncharacterized protein YDL144C primary:YDL144C Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [103 to 109] R E T [b2+1];[y1+1, y2+1, y3+1, y4+1] [b2+1:197.12592];[y1+1:147.11272, y2+1:261.15628, y3+1:389.25085, y4+1:518.29333] [b2+1:-0.00254];[y1+1:-0.00009, y2+1:0.00055, y3+1:0.00016, y4+1:0.00005] [b2+1:-12.94];[y1+1:-0.60, y2+1:2.11, y3+1:0.41, y4+1:0.09] [b2+1:22038];[y1+1:250624, y2+1:38006, y3+1:555761, y4+1:150798] 5 83 0 0.000000 83 0 0.000000 +SmallCalibratible_Yeast 15 24.14259 194.00000 4623564.50000 13 2.00000 371.21579 740.41703 5.055 0.055 0 AVTVHSK AVTVHSK AVTVHSK 2 0 0 740.41809 -0.00106 -1.43 P0CX82|P0CX83 60S ribosomal protein L19-A|60S ribosomal protein L19-B primary:RPL19A|primary:RPL19B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [54 to 60] K S T [b2+1];[y1+1, y2+1, y4+1, y5+1] [b2+1:171.11308];[y1+1:147.11290, y2+1:234.14471, y4+1:470.27515, y5+1:571.32025] [b2+1:0.00028];[y1+1:0.00010, y2+1:-0.00012, y4+1:0.00299, y5+1:0.00041] [b2+1:1.64];[y1+1:0.65, y2+1:-0.51, y4+1:6.37, y5+1:0.73] [b2+1:28851];[y1+1:99416, y2+1:26173, y4+1:9491, y5+1:90385] 5 84 0 0.000000 84 0 0.000000 +SmallCalibratible_Yeast 3 24.06493 166.00000 5286843.00000 1 2.00000 337.69485 673.37516 5.054 0.005 0 IQSAGAK IQSAGAK IQSAGAK 1 0 0 673.37589 -0.00073 -1.09 P0CF21 Putative truncated L-serine dehydratase YIL168W primary:YIL168W Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [103 to 109] K V T [b2+1];[y1+1, y2+1, y3+1, y6+1] [b2+1:242.14999];[y1+1:147.11273, y2+1:218.14868, y3+1:275.16989, y6+1:561.30103] [b2+1:0.00008];[y1+1:-0.00007, y2+1:-0.00124, y3+1:-0.00149, y6+1:0.00192] [b2+1:0.31];[y1+1:-0.49, y2+1:-5.69, y3+1:-5.44, y6+1:3.43] [b2+1:44692];[y1+1:179748, y2+1:11363, y3+1:14649, y6+1:36067] 5 85 0 0.000000 85 0 0.000000 +SmallCalibratible_Yeast 16 24.14642 63.00000 3434462.25000 13 3.00000 310.82953 929.46676 5.050 0.050 0 IDREGNAR IDREGNAR IDREGNAR 2 0 1 929.46789 -0.00113 -1.22 P48589 40S ribosomal protein S12 primary:RPS12 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [106 to 113] K K T [y1+1, y2+1, y4+1, y5+1, y7+2] [y1+1:175.11874, y2+1:246.15598, y4+1:417.21860, y5+1:546.26190, y7+2:409.19864] [y1+1:-0.00021, y2+1:-0.00009, y4+1:-0.00186, y5+1:-0.00115, y7+2:-0.00110] [y1+1:-1.20, y2+1:-0.37, y4+1:-4.47, y5+1:-2.11, y7+2:-1.35] [y1+1:74514, y2+1:9569, y4+1:17255, y5+1:16265, y7+2:54588] 5 86 0 0.000000 86 0 0.000000 +SmallCalibratible_Yeast 18 24.16941 155.00000 5676803.50000 17 2.00000 371.21570 740.41684 5.045 0.045 0 AVTVHSK AVTVHSK AVTVHSK 2 0 0 740.41809 -0.00124 -1.68 P0CX82|P0CX83 60S ribosomal protein L19-A|60S ribosomal protein L19-B primary:RPL19A|primary:RPL19B Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [54 to 60] K S T [b2+1];[y1+1, y2+1, y4+1, y5+1] [b2+1:171.11269];[y1+1:147.11298, y2+1:234.14468, y4+1:470.27213, y5+1:571.32031] [b2+1:-0.00012];[y1+1:0.00017, y2+1:-0.00015, y4+1:-0.00003, y5+1:0.00048] [b2+1:-0.69];[y1+1:1.18, y2+1:-0.64, y4+1:-0.07, y5+1:0.83] [b2+1:21877];[y1+1:96550, y2+1:22371, y4+1:13557, y5+1:102009] 5 87 0 0.000000 87 0 0.000000 +SmallCalibratible_Yeast 7 24.09661 139.00000 4724063.50000 6 2.00000 385.20062 768.38669 5.042 0.042 1 KMTSSSK KMTSSSK KMTSSSK 1 0 1 767.38474 1.00195 1305.67 P46997 J protein JJJ2 primary:JJJ2 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [133 to 139] K S T [b1+1, b3+1];[y1+1, y2+1, y3+1] [b1+1:129.10207, b3+1:361.18555];[y1+1:147.11288, y2+1:234.14514, y3+1:321.17987] [b1+1:-0.00017, b3+1:-0.00486];[y1+1:0.00008, y2+1:0.00031, y3+1:0.00301] [b1+1:-1.35, b3+1:-13.48];[y1+1:0.55, y2+1:1.33, y3+1:9.40] [b1+1:100944, b3+1:9644];[y1+1:51814, y2+1:14774, y3+1:19770] 5 88 0 0.000000 1 0 0.000000 +SmallCalibratible_Yeast 38 24.29533 122.00000 4170400.00000 36 2.00000 427.22931 852.44407 5.023 0.023 0 FVMEIAK FVM[Common Variable:Oxidation on M]EIAK FVMEIAK 1 Oxidation on M O O 1 0 852.44153 0.00254 2.98 P54784 Origin recognition complex subunit 1 primary:ORC1 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) N N full [841 to 847] K T T [b3+1];[y1+1, y2+1, y5+1, y6+1] [b3+1:394.17941];[y1+1:147.11269, y2+1:218.15005, y5+1:607.31567, y6+1:706.36731] [b3+1:-0.00009];[y1+1:-0.00012, y2+1:0.00014, y5+1:0.00370, y6+1:-0.01308] [b3+1:-0.23];[y1+1:-0.81, y2+1:0.63, y5+1:6.10, y6+1:-18.54] [b3+1:7649];[y1+1:52137, y2+1:18629, y5+1:6975, y6+1:11157] 5 89 0 0.000000 88 0 0.000000 diff --git a/mzLib/TestFlashLFQ/TestFlashLFQ.csproj b/mzLib/TestFlashLFQ/TestFlashLFQ.csproj index aa4f19039..084d83e7b 100644 --- a/mzLib/TestFlashLFQ/TestFlashLFQ.csproj +++ b/mzLib/TestFlashLFQ/TestFlashLFQ.csproj @@ -45,6 +45,9 @@ Always + + Always + Always diff --git a/mzLib/TestFlashLFQ/TestIdentificationAdapter.cs b/mzLib/TestFlashLFQ/TestIdentificationAdapter.cs index 035cb6706..547bfe10c 100644 --- a/mzLib/TestFlashLFQ/TestIdentificationAdapter.cs +++ b/mzLib/TestFlashLFQ/TestIdentificationAdapter.cs @@ -6,6 +6,7 @@ using FlashLFQ; using Assert = NUnit.Framework.Legacy.ClassicAssert; using System.IO; +using System.Runtime.CompilerServices; namespace Test { @@ -35,7 +36,7 @@ public void TestAddProteinGroupInfoCorrect(string path) Identification identification1 = identifications[0]; Assert.That(identification1.BaseSequence, Is.EqualTo("KPVGAAK")); Assert.That(identification1.ModifiedSequence, Is.EqualTo("KPVGAAK")); - Assert.That(identification1.Ms2RetentionTimeInMinutes, Is.EqualTo(1.9398)); + Assert.That(identification1.Ms2RetentionTimeInMinutes, Is.EqualTo(0.03233).Within(0.0001)); Assert.That(identification1.MonoisotopicMass, Is.EqualTo(669.4173)); Assert.That(identification1.PrecursorChargeState, Is.EqualTo(2)); @@ -48,7 +49,7 @@ public void TestAddProteinGroupInfoCorrect(string path) Identification identification5 = identifications[4]; Assert.That(identification5.BaseSequence, Is.EqualTo("VVTHGGR")); Assert.That(identification5.ModifiedSequence, Is.EqualTo("VVTHGGR")); - Assert.That(identification5.Ms2RetentionTimeInMinutes, Is.EqualTo(19.114)); + Assert.That(identification5.Ms2RetentionTimeInMinutes, Is.EqualTo(0.3186).Within(0.0001)); Assert.That(identification5.MonoisotopicMass, Is.EqualTo(724.398)); Assert.That(identification5.PrecursorChargeState, Is.EqualTo(2)); } @@ -210,6 +211,31 @@ public void SpectraFileNotFound() Assert.AreEqual("Spectra file not found for file name: file1.mzML", ex.Message); } } + + [Test] + public void TestMakeIdentificationsWithLegacyPsmTsvInput() + { + string psmFilename = "AllPSMs2.psmtsv"; + + var myDirectory = Path.Combine(TestContext.CurrentContext.TestDirectory, "TestData"); + var pathOfIdentificationFile = Path.Combine(myDirectory, psmFilename); + var pathOfMzml = Path.Combine(myDirectory, "SmallCalibratible_Yeast.mzML"); + SpectraFileInfo sfi = new SpectraFileInfo(pathOfMzml, "A", 1, 1, 1); + + PsmFromTsvFile results = new PsmFromTsvFile(pathOfIdentificationFile); + Assert.That(results.Results.Count, Is.EqualTo(89)); + + IQuantifiableResultFile quantifiableResultFile = FileReader.ReadQuantifiableResultFile(pathOfIdentificationFile); + List ids = MzLibExtensions.MakeIdentifications(quantifiableResultFile, new List { sfi }); + Assert.That(ids.Count, Is.EqualTo(89)); + + // test that PEP and PEP_QValue are NaN to improve code coverage + var castedId = quantifiableResultFile as PsmFromTsvFile; + Assert.That(castedId, Is.Not.Null); + var firstResult = castedId.Results.First(); + Assert.That(firstResult.PEP, Is.NaN); + Assert.That(firstResult.PEP_QValue, Is.NaN); + } } // Mock classes for testing