GC-MS SIM data import | fiammetta dimarco | 2022-07-27 13:10 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Hello, I have a problem in importing GC-MS data acquired in SIM mode. I followed the guideline "GCMS Data Analysis" and I was able to import GC-MS of Shimadzu coverted in mzXML acquired in scan mode but when I try to import the SIM GC-MS data it doesn´t work and it gives the following error: At 22:07: Failed importing results file 'C:\Users\b1064562\Desktop\GC-MS steroids\raw file\270725_FDM_mix std overnight_5ugmL_50MO_SIM_1.mzXML'. Unable to determine isolation width for the scan targeted at 268 pwiz.Skyline.Model.Results.ChromCacheBuildException: Failed importing results file 'C:\Users\b1064562\Desktop\GC-MS steroids\raw file\270725_FDM_mix std overnight_5ugmL_50MO_SIM_1.mzXML'. Unable to determine isolation width for the scan targeted at 268 ---> System.IO.InvalidDataException: Unable to determine isolation width for the scan targeted at 268 at pwiz.Skyline.Model.Results.SpectrumFilter.CalcDiaIsolationValues(SignedMz& isolationTargetMz, Nullable`1& isolationWidth) in C:\proj\skyline_20_2_x64\pwiz_tools\Skyline\Model\Results\SpectrumFilter.cs:line 1211 at pwiz.Skyline.Model.Results.SpectrumFilter.FindFilterPairs(IsolationWindowFilter isoWin, FullScanAcquisitionMethod acquisitionMethod, Boolean ignoreIsolationScheme) in C:\proj\skyline_20_2_x64\pwiz_tools\Skyline\Model\Results\SpectrumFilter.cs:line 1093 at pwiz.Skyline.Model.Results.SpectrumFilter.<Extract>d__105.MoveNext() in C:\proj\skyline_20_2_x64\pwiz_tools\Skyline\Model\Results\SpectrumFilter.cs:line 820 at pwiz.Skyline.Model.Results.SpectraChromDataProvider.ProcessSpectrumList(MsDataSpectrum[] spectra, ChromDataCollectorSet chromMap, Single rt, SpectrumFilter filter, String scanId) in C:\proj\skyline_20_2_x64\pwiz_tools\Skyline\Model\Results\SpectraChromDataProvider.cs:line 511 at pwiz.Skyline.Model.Results.SpectraChromDataProvider.ExtractChromatogramsLocked() in C:\proj\skyline_20_2_x64\pwiz_tools\Skyline\Model\Results\SpectraChromDataProvider.cs:line 353 at pwiz.Skyline.Model.Results.SpectraChromDataProvider.ExtractChromatograms() in C:\proj\skyline_20_2_x64\pwiz_tools\Skyline\Model\Results\SpectraChromDataProvider.cs:line 239 at pwiz.Skyline.Model.Results.SpectraChromDataProvider.SetRequestOrder(IList`1 chromatogramRequestOrder) in C:\proj\skyline_20_2_x64\pwiz_tools\Skyline\Model\Results\SpectraChromDataProvider.cs:line 594 at pwiz.Skyline.Model.Results.ChromCacheBuilder.Read(ChromDataProvider provider) in C:\proj\skyline_20_2_x64\pwiz_tools\Skyline\Model\Results\ChromCacheBuilder.cs:line 384 at pwiz.Skyline.Model.Results.ChromCacheBuilder.BuildCache() in C:\proj\skyline_20_2_x64\pwiz_tools\Skyline\Model\Results\ChromCacheBuilder.cs:line 252 --- End of inner exception stack trace --- Do you have an idea of what is wrong? Shall I change the transition settings (they are set as described in the guideline "GCMS Data Analysis")? Thank you for the help! |
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