view test-data/peptideshaker_reports_output_psmnonvalidated.tabular @ 61:3ec27b4cee7c draft default tip

"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit fc2810c412d9954fa584ae74497562b986c52764"

	Protein(s)	Sequence	AAs Before	AAs After	Position	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
1	cds.comp41779_c0_seq1,cds.comp41779_c0_seq2,cds.comp41779_c0_seq3	LDRLISATSISPEHKIDFLFK	WK;WK;WK	DP;DP;DP	545;538;63	NH2-LDRLISATSISPEHKIDFLFK-COOH			searchgui_smallspectra	small.3.3. File:"small.RAW", NativeID:"controllerType=0 controllerNumber=1 scan=3"		0.6731	810.789428710938	2+, 3+, 4+	3	2429.33184573292	0	6.00693871414815				100.0	Confident
2	cds.comp8310_c0_seq2	NLVAEESMNMLKNK	NR	FK	263	NH2-NLVAEESMNMLKNK-COOH			searchgui_smallspectra	small.17.17. File:"small.RAW", NativeID:"controllerType=0 controllerNumber=1 scan=17"		8.9853	811.408081054688	2+, 3+, 4+	2	1619.80111309327	1	-1.7626881884550694				100.0	Confident
3	cds.comp41890_c0_seq1	PGGFAKVWANGMGDPNSGDLVWHNKSR	LK	LG	77	NH2-PGGFAKVWANGMGDPNSGDLVWHNKSR-COOH			searchgui_smallspectra	small.28.28. File:"small.RAW", NativeID:"controllerType=0 controllerNumber=1 scan=28"		16.3598	725.3583984375	2+, 3+, 4+	4	2896.38272917215	1	6.345261931182815				100.0	Confident
4	cds.comp41890_c0_seq1_REVERSED	RYTSHEQLEGK	NK	VL	114	NH2-RYTSHEQLEGK-COOH			searchgui_smallspectra	small.46.46. File:"small.RAW", NativeID:"controllerType=0 controllerNumber=1 scan=46"		27.6339	674.841369628906	2+, 3+, 4+	2	1346.6578773639	1	5.1562724435666505				100.0	Confident