Annotated spectra of F_02_23_E1_ETD.msf

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Peptides

Confidence Sequence Activation Type Modifications IonScore ΔScore Rank Search Engine Charge Precursor m/z [Da] ΔM [ppm] First Scan Last Scan Annotated Spectrum Peak List
High IIGVDFNsKR ETD S8(Phosp) 23.24 1.00 1 Mascot (3) 3 410.20850 1.88 1218 1218 Image Peak List
High ENsGFGFLLTR ETD S3(Phosp) 28.22 1.00 1 Mascot (3) 2 660.80298 0.17 3110 3110 Image Peak List
High ALGSFGsFGsFR ETD S7(Phosp); S10(Phosp) 33.09 0.15 1 Mascot (3) 2 696.77356 0.91 3484 3484 Image Peak List
High RPFIHtGSWYR ETD T6(Phosp) 31.21 0.03 1 Mascot (3) 3 500.57007 0.83 1104 1104 Image Peak List
Medium RVSsFEALQPATR ETD S4(Phosp) 23.11 0.26 1 Mascot (3) 3 514.58722 -0.10 1092 1092 Image Peak List
High KDsFSDLLLHLPR ETD S3(Phosp) 16.90 1.00 1 Mascot (3) 3 540.94366 1.13 2655 2655 Image Peak List
High LKPFGcNLLYHDR ETD C6(Methylthio) 23.35 1.00 1 Mascot (3) 3 541.27289 3.88 1869 1869 Image Peak List
High VQsLAESNLSSLPDR ETD S3(Phosp) 42.13 1.00 1 Mascot (3) 2 848.40137 0.27 1764 1764 Image Peak List
High TRsFDDSPPAAAELR ETD S3(Phosp) 18.67 1.00 1 Mascot (3) 2 856.88892 3.80 1094 1094 Image Peak List
High NLsGKAETMSTNVER ETD S3(Phosp) 59.43 0.56 1 Mascot (3) 3 572.92639 1.34 642 642 Image Peak List
High YGAGIGPGVYDIHsPR ETD S14(Phosp) 32.17 1.00 1 Mascot (3) 3 580.26965 -0.30 1461 1461 Image Peak List
High LStPKPLPSDLLHLK ETD T3(Phosp) 26.41 0.27 1 Mascot (3) 3 580.32336 2.97 1927 1927 Image Peak List
High APMIIHHADsELMGR ETD S10(Phosp) 50.28 1.00 1 Mascot (3) 3 586.60028 -0.05 1169 1169 Image Peak List
High SAsFKEESDFFADLK ETD S3(Phosp) 17.57 0.11 1 Mascot (3) 2 900.89093 0.95 2609 2609 Image Peak List
High FSYNSYPDsAESsPR ETD S9(Phosp); S13(Phosp) 17.52 1.00 1 Mascot (3) 2 933.83484 0.23 1568 1568 Image Peak List
Low VFcsQVSNLStEMAR ETD C3(Methylthio); S4(Phosp); T11(Phosp) 15.78 1.00 1 Mascot (3) 2 939.35858 3.47 2914 2914 Image Peak List
High INsAEsMELWASQQK ETD S3(Phosp); S6(Phosp) 20.87 1.00 1 Mascot (3) 2 941.38007 2.02 2541 2541 Image Peak List
High LIEEVSHSSGsPNPVsD ETD S11(Phosp); S16(Phosp) 19.47 1.00 1 Mascot (3) 2 957.38245 0.51 1307 1307 Image Peak List
High VTSESDFMtEyVVTR ETD T9(Phosp); Y11(Phospho) 32.83 0.24 1 Mascot (3) 2 962.37994 2.20 2401 2401 Image Peak List
High VKEGDHIIIGQcRPLSK ETD C12(Methylthio) 21.85 1.00 1 Mascot (3) 3 647.01355 0.41 950 950 Image Peak List
High VPEAQITNSAtPTTtPR ETD T11(Phosp); T15(Phosp) 21.62 0.09 1 Mascot (3) 2 972.43201 2.85 1027 1027 Image Peak List
High KTEIVKPEScsNEGDVK ETD C10(Methylthio); S11(Phosp) 20.21 0.10 1 Mascot (3) 3 663.62933 1.45 553 553 Image Peak List
High TIEKEIsDDEEEEEKK ETD S7(Phosp) 27.16 1.00 1 Mascot (3) 3 677.62823 0.55 632 632 Image Peak List
High AVGsHcSLSEMDDLDLTR ETD S4(Phosp); C6(Methylthio) 25.87 1.00 1 Mascot (3) 2 1037.91809 0.41 2546 2546 Image Peak List
High HLQEIPRsPSASPDNGIAK ETD S8(Phosp) 21.88 1.00 1 Mascot (3) 3 699.67578 0.11 607 607 Image Peak List
High FGIVEGLMTTVHSItATQK ETD T15(Phosp) 79.63 0.05 1 Mascot (3) 3 705.01837 0.26 3418 3418 Image Peak List
High ADADDDKLVDGLNWAcGQGR ETD C16(Methylthio) 32.21 1.00 1 Mascot (3) 3 722.31854 1.07 2711 2711 Image Peak List
High KKEEsEEEEGDFGFDLFG ETD S5(Phosp) 72.79 1.00 1 Mascot (3) 3 724.62903 1.45 3066 3066 Image Peak List
High VSGsEHGFSLNEPLGISENK ETD S4(Phosp) 54.40 0.26 1 Mascot (3) 3 727.66754 0.92 1995 1995 Image Peak List
High SAIPDTRPRtPIHESAATGR ETD T10(Phosp) 19.12 0.16 1 Mascot (3) 3 738.36908 4.66 328 328 Image Peak List
High LKTESSsADNIQEDDGSSLR ETD S7(Phosp) 24.81 0.32 1 Mascot (3) 2 1116.48950 2.36 674 674 Image Peak List
High ANLsPAGDKANVEEPMVYATK ETD S4(Phosp) 20.95 1.00 1 Mascot (3) 3 762.35614 0.79 1449 1449 Image Peak List
High QQFESIARPTLEIEIPsPR ETD S17(Phosp) 23.20 1.00 1 Mascot (3) 3 764.38818 2.95 2536 2536 Image Peak List
High IGIWQYGDIEsDDEDTGPAR ETD S11(Phosp) 39.70 0.03 1 Mascot (3) 3 772.99475 1.71 2816 2816 Image Peak List
High EANVDGDTAsQHEAAWLPGKR ETD S10(Phosp) 20.21 1.00 1 Mascot (3) 3 778.01825 2.02 1029 1029 Image Peak List
High ATGAFILTAsHNPGGPTEDFGIK ETD S10(Phosp) 47.57 0.17 1 Mascot (3) 3 794.37500 -2.93 2567 2567 Image Peak List
Low STPGSPAHPPGARsPPPSYLSNK ETD S14(Phosp) 17.85 1.00 1 Mascot (3) 3 794.71356 0.94 544 544 Image Peak List
High ETLESALLKsPsPDNNNVSEK ETD S10(Phosp); S12(Phosp) 30.39 1.00 1 Mascot (3) 3 811.36023 1.26 1997 1997 Image Peak List
High SsDSLSGTNELLNINSETPMKK ETD S2(Phosp) 47.74 0.17 1 Mascot (3) 3 815.71478 3.36 2074 2074 Image Peak List
High GLGDSSSSLKPSSsHTQVAFESIV ETD S14(Phosp) 21.43 0.19 1 Mascot (3) 3 834.05933 1.21 2366 2366 Image Peak List
High SFDREsPSNLDSTSGISQPHNR ETD S6(Phosp) 52.97 0.17 1 Mascot (3) 3 837.69995 -1.75 751 751 Image Peak List
High KGYTsDEELEELDSPLTSIVDK ETD S5(Phosp) 38.72 0.15 1 Mascot (3) 3 850.05713 -0.88 3012 3012 Image Peak List
High VTYVAPPRPPsPVHEGSEEGSSPR ETD S11(Phosp) 16.68 1.00 1 Mascot (3) 3 871.41162 2.35 915 915 Image Peak List
High HPQWQSDDGGDNsEPESPSDSLR ETD S13(Phosp) 40.33 0.45 1 Mascot (3) 3 874.01202 -0.22 961 961 Image Peak List
High LVPHTVASQSEVDVAsPVsEKAPK ETD S16(Phosp); S19(Phosp) 21.89 1.00 1 Mascot (3) 3 879.08606 0.72 1115 1115 Image Peak List
High TSGLPSQTSGAGSAYATLPQLPLsPR ETD S24(Phosp) 31.87 1.00 1 Mascot (3) 3 879.77216 3.72 2784 2784 Image Peak List
High TLPVAVVEVVKPEsPVLVIVEKPK ETD S14(Phosp) 18.92 1.00 1 Mascot (3) 3 883.84851 2.50 2744 2744 Image Peak List
High RDDsFQKVNDHPISTVESNLSAK ETD S4(Phosp) 28.01 1.00 1 Mascot (3) 3 889.75226 0.41 1246 1246 Image Peak List
High VHDMVVADADQDDGtDDDNDLGEK ETD T15(Phosp) 40.61 1.00 1 Mascot (3) 3 890.34564 1.11 1153 1153 Image Peak List
High KQPEEENGELsEsEKDYDLLPK ETD S11(Phosp); S13(Phosp) 32.54 1.00 1 Mascot (3) 3 913.05725 1.53 1617 1617 Image Peak List
High EILQSEsFKEEGYLASELQEAEK ETD S7(Phosp) 28.85 0.21 1 Mascot (3) 3 913.08917 1.34 2700 2700 Image Peak List
High SPTVVTVQPSsPRFPIsTPTAGAQR ETD S11(Phosp); S17(Phosp) 16.04 1.00 1 Mascot (3) 3 914.44250 2.52 2119 2119 Image Peak List
High FPDDKDGEDEKSGDsGGENLMDSDK ETD S15(Phosp) 54.46 0.22 1 Mascot (3) 3 923.02539 1.96 877 877 Image Peak List
High VVYVAPPRPPsPVREGsEEGSsPR ETD S11(Phosp); S17(Phosp); S22(Phosp) 17.65 0.06 1 Mascot (3) 3 930.40955 1.54 1491 1491 Image Peak List
High KPEDGsAVAAAPVVVPPPVEEAHPVEK ETD S6(Phosp) 20.44 1.00 1 Mascot (3) 3 933.80414 0.45 1435 1435 Image Peak List
High AKETGPEIETAVDGEsVHEIETTER ETD S16(Phosp) 17.18 1.00 1 Mascot (3) 3 936.42657 1.13 1335 1335 Image Peak List
Medium KSPTVVTVQPSsPRFPIsTPTAGAQR ETD S12(Phosp); S18(Phosp) 24.63 1.00 1 Mascot (3) 3 957.13702 -1.57 1703 1703 Image Peak List
High ISHSTGSETLDQNMVLGEVsPKDEESR ETD S20(Phosp) 15.70 1.00 1 Mascot (3) 3 1009.12085 0.74 1430 1430 Image Peak List
High LSKsDDSLGSQFLMSHPQASTGQQEPAK ETD S4(Phosp) 25.22 0.16 1 Mascot (3) 3 1018.80188 1.16 1519 1519 Image Peak List
Medium EKPSSPPtFDDGPtSPPASLHEPEPSAK ETD T8(Phosp); T14(Phosp) 19.83 1.00 1 Mascot (3) 3 1021.43561 -4.78 1426 1426 Image Peak List
High WDsTTSEEAKENLIFQSGGDREEVDR ETD S3(Phosp) 25.78 0.04 1 Mascot (3) 3 1026.78687 4.38 1736 1736 Image Peak List
High ASLsTGNIPEMFDGRPSFTEGSGLEASPR ETD S4(Phosp) 15.65 1.00 1 Mascot (3) 3 1030.80054 -0.17 2779 2779 Image Peak List
High GMVSSGGPVsPGPVYPGGRPGAGGLMPGMPGTR ETD S10(Phosp) 24.79 0.36 1 Mascot (3) 3 1039.82373 3.09 2284 2284 Image Peak List
High NVEGsNEDEEEEIEEDGEEISEVDHAK ETD S5(Phosp) 15.68 1.00 1 Mascot (3) 3 1047.41138 -0.92 2207 2207 Image Peak List
High SSIQDDEsNAEETDDQHLASDHATDITR ETD S8(Phosp) 19.65 1.00 1 Mascot (3) 3 1060.77161 4.04 931 931 Image Peak List
High STsSNPADDIPLTEAKDEEEASEVAGLEAK ETD S3(Phosp) 21.56 0.05 1 Mascot (3) 3 1061.81018 1.81 2483 2483 Image Peak List
Medium KFSEQNIGAPPSYEEAVSDSRsPVYSER ETD S22(Phosp) 23.78 0.25 1 Mascot (3) 3 1070.49084 4.85 1570 1570 Image Peak List
High RKGDGDDEEsEDESAENVVNVEDFLVQK ETD S10(Phosp) 54.21 0.67 1 Mascot (3) 3 1078.13306 1.33 2597 2597 Image Peak List
High ASEAEHEDPVDDIKsNDDRDFPTEQAPK ETD S15(Phosp) 17.83 1.00 1 Mascot (3) 3 1079.13342 4.83 1097 1097 Image Peak List
High IISQLEPEVLsPIKPADDQLSLSDLDMVK ETD S11(Phosp) 54.10 0.20 1 Mascot (3) 3 1091.89343 2.45 3472 3472 Image Peak List
High KTDGSTtPAYAHGQHHSIFSPATGAVSDSSLK ETD T7(Phosp) 22.60 0.17 1 Mascot (3) 3 1112.51575 -0.08 980 980 Image Peak List
High HDSSSSyKSDADDDVDFSETTSNPTWLEK ETD Y7(Phospho) 37.58 0.05 1 Mascot (3) 3 1115.12073 1.22 1916 1916 Image Peak List
High KEEATPAPAVVEtPVKEPETTTTAPVAEPPKP ETD T13(Phosp) 20.65 1.00 1 Mascot (3) 3 1131.23413 -1.29 1286 1286 Image Peak List
High sPEHALFTKPVYDQTEQLPPAPWETQEPR ETD S1(Phosp) 18.50 0.06 1 Mascot (3) 3 1157.88220 1.80 2513 2513 Image Peak List
High EISHDSsDEEDGDGGKNtNEMLNYGLTIASK ETD S7(Phosp); T18(Phosp) 17.07 1.00 1 Mascot (3) 3 1162.80554 2.62 2480 2480 Image Peak List
High EATADMSEEFSEGEKGDIIsDISTHGESTKPR ETD S20(Phosp) 32.43 0.19 1 Mascot (3) 3 1178.51550 1.59 1897 1897 Image Peak List
High FNNHsPEENNNSPLSGSSATNTNETELSLMLK ETD S5(Phosp) 19.44 1.00 1 Mascot (3) 3 1186.19507 4.82 2422 2422 Image Peak List
High EATADMsEEFsEGEKGDIISDISTHGESTKPR ETD S7(Phosp); S11(Phosp) 16.64 1.00 1 Mascot (3) 3 1205.17126 1.82 2105 2105 Image Peak List
Low SSAVQEEQFGEHTEPcSSEIKDESHGKEESVEVK ETD C16(Methylthio) 22.14 1.00 1 Mascot (3) 3 1274.56030 -2.38 1073 1073 Image Peak List
Low SKDNLYEQKPEEPVPVIPAASPtNDTSAAGSSFASR ETD T23(Phosp) 21.20 2 Mascot (3) 3 1280.94006 2.37 1825 1825 Image Peak List
High IDLDKPEVEDDDDNDEDDsEDDDEAEGHDGEAGGR ETD S19(Phosp) 55.75 1.00 1 Mascot (3) 3 1304.80688 -1.54 1024 1024 Image Peak List
Low QDcPLINIEVVAHVTSPEIRssEVsNtFyFK ETD C3(Methylthio); S21(Phosp); S22(Phosp); S25(Phosp); T27(Phosp); Y29(Phospho) 21.43 1.00 1 Mascot (3) 3 1323.52808 -1.81 1500 1500 Image Peak List
High DAETVNQTSHPTEEEAQVTVSSNADVEDSHETVsPR ETD S34(Phosp) 28.64 0.21 1 Mascot (3) 3 1325.90588 0.75 1125 1125 Image Peak List
Low sDPFFFVsGNsGScLKGQKLAVTVMSTGHHSHtPR ETD S1(Phosp); S8(Phosp); S11(Phosp); C14(Methylthio); T33(Phosp) 17.21 1.00 1 Mascot (3) 3 1361.55688 -0.77 95 95 Image Peak List

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Search Summary

Workflow created with Discoverer version: 1.3.0.339 (DBVersion:78)

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Search name: F_02_23_E1
Search description: -
Search date: 09/13/2013 10:12:41

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The pipeline tree:
------------------

    |-(0) Spectrum Files
        |-(1) Spectrum Selector
            |-(2) Non-Fragment Filter
                |-(3) Mascot
                    |-(4) Percolator

================================================================================

Search name: F_02_23_E1
Search description: -
Search date: 09/13/2013 10:12:41

================================================================================

The pipeline tree:
------------------

    |-(0) Spectrum Files
        |-(1) Spectrum Selector
            |-(2) Non-Fragment Filter
                |-(3) Mascot
                    |-(4) Percolator

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Processing node 0: Spectrum Files
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Input Data:
-----------------------------
File Name(s): F:\Cytosol\M15F15 022012\Raw files\F_02_23_E1.raw

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Processing node 1: Spectrum Selector
------------------------------------------------------------------------------

1. General Settings:
-----------------------------
Precursor Selection: Use MS1 Precursor
Use New Precursor Reevaluation: True

2. Spectrum Properties Filter:
-----------------------------
Lower RT Limit: 0
Upper RT Limit: 0
First Scan: 0
Last Scan: 0
Lowest Charge State: 0
Highest Charge State: 0
Min. Precursor Mass: 400 Da
Max. Precursor Mass: 10000 Da
Total Intensity Threshold: 0
Minimum Peak Count: 1

3. Scan Event Filters:
-----------------------------
MS Order: Is MS2
Activation Type: Is ETD
Scan Type: Is Full

4. Peak Filters:
-----------------------------
S/N Threshold (FT-only): 3

5. Replacements for Unrecognized Properties:
-----------------------------
Unrecognized Charge Replacements: Automatic
Unrecognized Mass Analyzer Replacements: ITMS
Unrecognized MS Order Replacements: MS2
Unrecognized Activation Type Replacements: ETD
Unrecognized Polarity Replacements: +

6. Just for Testing:
-----------------------------
Precursor Clipping Range Before: 2.5 Da
Precursor Clipping Range After: 5.5 Da

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Processing node 2: Non-Fragment Filter
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1. Precursor Peaks:
-----------------------------
Remove Precursor Peak: True
Mass Window Offset: 4 Da

2. Charge Reduced Precursors:
-----------------------------
Remove Charge Reduced Precursors: True
Mass Window Offset: 2 Da

3. Neutral Losses From Charge Reduced Precursors:
-----------------------------
Remove Neutral Loss Peaks: True
Mass Window Offset: 2 Da
Remove Only Known Masses: True
Maximum Neutral Loss Mass: 120 Da

4. FT Overtones:
-----------------------------
Remove Precursor Overtones: False
Mass Window Offset: 0.5 Da

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Processing node 3: Mascot
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1. Input Data:
-----------------------------
Protein Database: TAIR10
Enzyme Name: Trypsin
Maximum Missed Cleavage Sites: 2
Instrument: ETD-TRAP
Taxonomy: . . . . . . Arabidopsis thaliana (thale cress)

1.1 Peptide Scoring Options:
-----------------------------
Peptide Cut Off Score: 10
Peptide Without Protein Cut Off Score: 5

1.2 Protein Scoring Options:
-----------------------------
Use MudPIT Scoring: Automatic
Protein Relevance Threshold: 20
Protein Relevance Factor: 1

2. Tolerances:
-----------------------------
Precursor Mass Tolerance: 5 ppm
Fragment Mass Tolerance: 0.6 Da
Use Average Precursor Mass: False

3. Dynamic Modifications:
-----------------------------
1. Dynamic Modification: Phosphogood (ST)
2. Dynamic Modification: Phospho (Y)

4. Static Modifications:
-----------------------------
1. Static Modification: Methylthio (C)

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Processing node 4: Percolator
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1. Input Data:
-----------------------------
Maximum Delta Cn: 0.05

2. Decoy Database Search:
-----------------------------
Target FDR (Strict): 0.01
Target FDR (Relaxed): 0.05
Validation based on: q-Value

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Processing details:

09/13/2013 10:19 AM (3):Mascot: Total search time was 1 min 37 s.
09/13/2013 10:19 AM (4):Percolator: Performing percolator for Mascot (3) took 29.2 s.
09/13/2013 10:19 AM (3):Mascot: Search completed
09/13/2013 10:19 AM (3):Mascot: Protein grouping (99 groups) took: 0.15 s
09/13/2013 10:19 AM (3):Mascot: 161 protein(s) + 0 decoy proteins scored and inserted into result file in 0.75 s
09/13/2013 10:19 AM (3):Mascot: 161 protein(s) scored
09/13/2013 10:19 AM (3):Mascot: Result finalization started
09/13/2013 10:19 AM (4):Percolator: Start reading Percolator results
09/13/2013 10:18 AM (4):Percolator: Merging results from 3 datasets
09/13/2013 10:18 AM (4):Percolator: Found 274 target PSMs scoring over 1% FDR level on testset
09/13/2013 10:18 AM (4):Percolator: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
09/13/2013 10:18 AM (4):Percolator: 3.39 1.02 9.31 1.09 2.39 -0.355 0.402 -1.55 -0.0842 -1.7 0 -0.118 0.118 0 0 0 -2.28 0 1.51 0.234 0.0713 -1.24 -3.1 -1.44 0.647 -0.52 1.15 -1.48 -2.46 1.59 -0.663 0.185 -5.61
09/13/2013 10:18 AM (4):Percolator: IonScore Delta Cn From Second PSM Binomial Score Isolation Interference [%] MH+ [Da] Delta Mass [Da] Delta Mass [ppm] Absolute Delta Mass [Da] Absolute Delta Mass [ppm] Peptide Length Is z=1 Is z=2 Is z=3 Is z=4 Is z=5 Is z>5 # Missed Cleavages Log Peptides Matched Log Total Intensity Fraction Matched Intensity [%] Fragment Coverage Series A, B, C [%] Fragment Coverage Series X, Y, Z [%] Log Matched Fragment Series Intensities A, B, C Log Matched Fragment Series Intensities X, Y, Z Longest Sequence Series A, B, C Longest Sequence Series X, Y, Z IQR Fragment Delta Mass [Da] IQR Fragment Delta Mass [ppm] Mean Fragment Delta Mass [Da] Mean Fragment Delta Mass [ppm] Mean Absolute Fragment Delta Mass [Da] Mean Absolute Fragment Delta Mass [ppm] m0
09/13/2013 10:18 AM (4):Percolator: # first line contains normalized weights, second line the raw weights
09/13/2013 10:18 AM (4):Percolator: Obtained weights (only showing weights of first cross validation set)
09/13/2013 10:18 AM (4):Percolator: Iteration 10 : After the iteration step, 410 target PSMs with q<0.01 were estimated by cross validation
09/13/2013 10:18 AM (4):Percolator: Iteration 9 : After the iteration step, 410 target PSMs with q<0.01 were estimated by cross validation
09/13/2013 10:18 AM (4):Percolator: Iteration 8 : After the iteration step, 410 target PSMs with q<0.01 were estimated by cross validation
09/13/2013 10:18 AM (4):Percolator: Iteration 7 : After the iteration step, 410 target PSMs with q<0.01 were estimated by cross validation
09/13/2013 10:18 AM (4):Percolator: Iteration 6 : After the iteration step, 410 target PSMs with q<0.01 were estimated by cross validation
09/13/2013 10:18 AM (4):Percolator: Iteration 5 : After the iteration step, 409 target PSMs with q<0.01 were estimated by cross validation
09/13/2013 10:18 AM (4):Percolator: Iteration 4 : After the iteration step, 403 target PSMs with q<0.01 were estimated by cross validation
09/13/2013 10:18 AM (4):Percolator: Iteration 3 : After the iteration step, 397 target PSMs with q<0.01 were estimated by cross validation
09/13/2013 10:18 AM (4):Percolator: Iteration 2 : After the iteration step, 382 target PSMs with q<0.01 were estimated by cross validation
09/13/2013 10:18 AM (4):Percolator: Iteration 1 : After the iteration step, 355 target PSMs with q<0.01 were estimated by cross validation
09/13/2013 10:18 AM (4):Percolator: ---Training with Cpos selected by cross validation, Cneg selected by cross validation, fdr=0.01
09/13/2013 10:18 AM (4):Percolator: Reading in data and feature calculation took 4.703 cpu seconds or 5 seconds wall time
09/13/2013 10:18 AM (4):Percolator: Estimating 185 over q=0.01 in initial direction
09/13/2013 10:18 AM (4):Percolator: A
09/13/2013 10:18 AM (4):Percolator: selecting cneg by cross validation
09/13/2013 10:18 AM (4):Percolator: selecting cpos by cross validation
09/13/2013 10:18 AM (4):Percolator: baFeatureNames::getNumFeatures=32
09/13/2013 10:18 AM (4):Percolator: Train/test set contains 1248 positives and 1174 negatives, size ratio=1.06303 and pi0=1
09/13/2013 10:18 AM (4):Percolator: e6e22773-e9a6-4a26-9694-1ca77a797099 Delta Cn From Second PSM Binomial Score b8754504-e95e-476b-b9a4-454d4bb53aeb 1d91a87b-953a-4887-9f22-f75a497a3538 Delta Mass [Da] Delta Mass [ppm] Absolute Delta Mass [Da] Absolute Delta Mass [ppm] Peptide Length Is z=1 Is z=2 Is z=3 Is z=4 Is z=5 Is z>5 041eb6d5-e486-44a0-9bc1-19e25811c686 Log Peptides Matched Log Total Intensity Fraction Matched Intensity [%] Fragment Coverage Series A, B, C [%] Fragment Coverage Series X, Y, Z [%] Log Matched Fragment Series Intensities A, B, C Log Matched Fragment Series Intensities X, Y, Z Longest Sequence Series A, B, C Longest Sequence Series X, Y, Z IQR Fragment Delta Mass [Da] IQR Fragment Delta Mass [ppm] Mean Fragment Delta Mass [Da] Mean Fragment Delta Mass [ppm] Mean Absolute Fragment Delta Mass [Da] Mean Absolute Fragment Delta Mass [ppm] end of FeatureNames::setFromXml
09/13/2013 10:18 AM (4):Percolator: in FeatureNames::setFromXml
09/13/2013 10:18 AM (4):Percolator: enzyme=Trypsin
09/13/2013 10:18 AM (4):Percolator: Hyperparameters fdr=0.01, Cpos=0, Cneg=0, maxNiter=10
09/13/2013 10:18 AM (4):Percolator: Started Fri Sep 13 10:18:47 2013 on unknown_host
09/13/2013 10:18 AM (4):Percolator: C:\Program Files\Thermo\Discoverer 1.3\Tools\Percolator\percolator.exe -E C:\Documents and Settings\All Users\Application Data\Thermo\Discoverer 1.3\Scratch\97b3808b-01a1-4900-8427-33b55676302f\input.xml -X C:\Documents and Settings\All Users\Application Data\Thermo\Discoverer 1.3\Scratch\97b3808b-01a1-4900-8427-33b55676302f\output.xml -Z
09/13/2013 10:18 AM (4):Percolator: Issued command:
09/13/2013 10:18 AM (4):Percolator: Department of Genome Sciences at the University of Washington.
09/13/2013 10:18 AM (4):Percolator: Written by Lukas K+ñll (lukall@u.washington.edu) in the
09/13/2013 10:18 AM (4):Percolator: Copyright (c) 2006-9 University of Washington. All rights reserved.
09/13/2013 10:18 AM (4):Percolator: Percolator version 1.17, Build Date Nov 30 2010 15:27:43
09/13/2013 10:18 AM (4):Percolator: Starting Percolator
09/13/2013 10:18 AM (4):Percolator: The input file contains 1248 peptides, 1174 decoy peptides and 32 features.
09/13/2013 10:18 AM (4):Percolator: Creating input file for Mascot (3) took 14.1 s.
09/13/2013 10:18 AM (4):Percolator: Start calculating features for peptides of Mascot (3)
09/13/2013 10:18 AM (3):Mascot: Used mascot server http://194.199.86.179/mascot/ with Mascot version 2.2.7
09/13/2013 10:18 AM (3):Mascot: Sending 818 peptide hits (3671 peptides) to result file
09/13/2013 10:18 AM (3):Mascot: Sending 663 decoy peptide hits (3243 peptides) to result file
09/13/2013 10:18 AM (3):Mascot: Reading decoy results
09/13/2013 10:18 AM (3):Mascot: Start translating results
09/13/2013 10:18 AM (3):Mascot: Start mapping modifications
09/13/2013 10:18 AM (3):Mascot: Received 193 proteins from Mascot server
09/13/2013 10:18 AM (3):Mascot: Start mapping 193 proteins
09/13/2013 10:18 AM (3):Mascot: Start parsing results
09/13/2013 10:18 AM (3):Mascot: Received Mascot result file (filename=../data/20130913/F008073.dat)
09/13/2013 10:18 AM (3):Mascot: Mascot Server completed
09/13/2013 10:17 AM (3):Mascot: Mascot result on server (filename=../data/20130913/F008073.dat)
09/13/2013 10:16 AM (3):Mascot: Start searching 3799 spectra
09/13/2013 10:16 AM (2):Non-Fragment Filter: Sending 799 spectra to Mascot
09/13/2013 10:16 AM (2):Non-Fragment Filter: Sending 799 spectra to result file
09/13/2013 10:16 AM (2):Non-Fragment Filter: Receiving spectra 3001 to 3800.
09/13/2013 10:16 AM (2):Non-Fragment Filter: Sending 1000 spectra to Mascot
09/13/2013 10:16 AM (2):Non-Fragment Filter: Sending 1000 spectra to result file
09/13/2013 10:16 AM (2):Non-Fragment Filter: Receiving spectra 2001 to 3001.
09/13/2013 10:16 AM (2):Non-Fragment Filter: Sending 1000 spectra to Mascot
09/13/2013 10:16 AM (2):Non-Fragment Filter: Sending 1000 spectra to result file
09/13/2013 10:16 AM (2):Non-Fragment Filter: Receiving spectra 1001 to 2001.
09/13/2013 10:16 AM (3):Mascot: Use mascot server http://194.199.86.179/mascot/ with Mascot version 2.2.7
09/13/2013 10:16 AM (2):Non-Fragment Filter: Sending 1000 spectra to Mascot
09/13/2013 10:16 AM (2):Non-Fragment Filter: Sending 1000 spectra to result file
09/13/2013 10:16 AM (2):Non-Fragment Filter: Receiving spectra 1 to 1001.
09/13/2013 10:16 AM (1):Spectrum Selector: Reading from File 1 of 1:F:\Cytosol\M15F15 022012\Raw files\F_02_23_E1.raw (9187 spectra total)


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