yguitton / metaMS

data processing for MS-based metabolomics
14 stars 3 forks source link

Matching with Database #6

Closed dwesener closed 5 years ago

dwesener commented 6 years ago

Hello,

Love the software. However there is one issue that I have encountered multiple times when performing runGC. When matching runGC to a database, the program fails on this error:

< -------- Experiment of 11 samples ------------------------------------ >

< -------- Instrument: TSQXLS.QQQ.GC ----------------------------------- >

< -------- Annotation using database of 3 spectra ---------------------- >

< -------- Performing peak picking and CAMERA -------------------------- >

< -------- Removing artefacts (Bleeding, Plasticizers) ----------------- >

< -------- Matching with database of standards ------------------------- >

Error in rt.matches[[ii]][i, 1] : subscript out of bounds

I had been able to bypass this error previously by decreasing TSQXLS.GC@match2DB.rtdiff. This is not working with my current dataset.

I am sure other uses have encountered this error. I am not the most computer savy so if anyone that can explain why metaMS is failing on this error I would appreciate it. Also, any suggestions on working around this error, or settings that can be modified to decrease the likelihood of this error would be appreciated.

Am using metaMS v1.12 R 3.4.1 Analyzing GCMS data from carbohydrates (fairly clean starting material, multiple internal controls, often targeting 2-4 monosaccharides in any experiment). Can provide data and database I have generated if that will help.

Many thanks!