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Messages - Alastair

MS-DIAL / Re: MSDial crashes after processing files and after opening alignment navigator
I have the same problem with GC-MS processing.  I have run quite a few datasets without much trouble (some crashes but usually redoing the processing will sort the problem now).  The current dataset of 288 samples in abf format is going the whole way through, past alignment and gap filling, and then crashing just before finishing.  I can open the MS DIAL file up, and see and click on the individual files.  But when I click on the alignment file, MS DIAL crashes.

I've tried changing a few of the settings but nothing seems to work. 

Any suggestions?

Data are from a Shimadzu GCMS TQ8040 run in scan mode, converted to abf format.  The only thing I could think of is that the data were acquired in scan and MRM mode, but the abf should be just pulling out the scan data?  We had issues with scan/MRM data with LC-MS processing, but a different type of issue.


MS-DIAL / Exporting selected data tables
I am really liking MSDIAL as a universal tool for looking at GC-MS and LC-MS metabolomics data.  One thing I cannot find though is how to export selected data as a table.  If I select a reduced number of 'dots' based on e.g. intensity or identification, is there a way of exporting the area x mass information for just this data?