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  • i2masschroq_1.2.3-1_bookworm1
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Created with Raphaël 2.2.02Apr31Mar2928262523221514138765422Feb212019181716141211987643229Jan27262524232019181716151413121110987653222Dec2120191817161574226Nov25242322212018171615146129Oct27262120161514131211987654330Sep29262522212019181716151413976532131Aug21201714133230Jul292827262524232221987130Jun27242221191817141312111098131May302924232221201918171612111098765432130Apr292827262524232221201918171311109display isotope ratio on clicked peaksdraw peak bordersWIP: highlight peak borderscatch mouse click on Xiccheck mcqml parametersshould work with labelsfirst sc output : it works, but needs refinement to take into account labelled experimentspreparing new MassChroqR spectral count outputpreparing new MassChroqR spectral count outputxtpcpp (0.2.12-2) stretchxtpcpp_0.2.12-2xtpcpp_0.2.12-2computing ppm delta fixedcheck PSI MOD compliancextpcpp (0.2.12-1) stretchxtpcpp_0.2.12-1xtpcpp_0.2.12-1proticdbML output debugrestrict minutes and seconds retention time to 2 digitsdelegates ok for protein listuse mhphlus observed given by tandem to compute experimental masscompute delta observed - theoreticalitem delegate apply to the right columnnew item delegate to display minutes and secondsnew item delegate to display percent and mass correctlydelta MH switched from theoretical - observed to observed - theoreticalwriting PTM spectra ODS sheet OKWIP: writing PTM spectra ODS sheetnew column added to display experimental precursor m/zabout dialogmove apply filter button at bottomdoxygennew PTM peptide filesfix export dialoguse colorscale in compar sheetsxtpcpp (0.2.11-1) stretchxtpcpp_0.2.11-1xtpcpp_0.2.11-1preparing PTM spectra sheetpropose DAT files in load dialogsetting variable and fixed modificationscoding variable modifications on peptides (MASCOT)column mascot ion score addedbetter nameeconomic accession parsingread decoy peptide in mascot dat file
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