michaelmarty / UniDec

Universal Deconvolution of Mass and Ion Mobility Spectra

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Import of mzML files for "Using MetaUniDec to Analyze Chromatograms" not working

wendscheck opened this issue · comments

Hi michaelmarty,
I was trying to import my MS data as you nicely described in your Wiki "Using MetaUniDec to Analyze Chromatograms". My data was acquired on a Synapt G1 with MassLynx V4.1 and i converted it by using MSConvert V3 to mzML with default parameters. Then i followed your description in MetaUniDec (Version 4.1.2): File/Automated Chromatogram Parsing/Auto Import Chromatogram by Scans and used Scan step of 1.0. At this point I receive the following issue:

UniDec Path: D:\UniDec_Windows_Dist_200121\UniDec.exe
Display Size (1920, 1080)
TESTING: ['D:\Daniel\20200207_P495\rawfiles\SYNAPT01502.mzML']
SYNAPT01502.mzML
Reading mzML: D:\Daniel\20200207_P495\rawfiles\SYNAPT01502.mzML
'NoneType' object is not subscriptable
Errors: ['D:\Daniel\20200207_P495_subunitxchange\rawfiles\SYNAPT01502.mzML']

Any ideas?

Thanks for your help,
Daniel

Hi Daniel,
Thanks for getting in touch. I've had issues before with converting Waters files into mzML. Can you send an example of the raw file and the mzML to mtmarty@email.arizona.edu? Also, does the Raw file open with UniDec? Thanks, MTM

Hi Michael,
I just send you the files via e-mail. I can open the rawfiles in UniDec using file tab -> Open Waters Raw File.
Best,
Daniel

Resolved with update to pymzml and with try/except clause on getting start time. Fix loaded in Version 4.2. Thanks!