Metabolomics Society Forum

Software => R => XCMS => Topic started by: hhabra on August 17, 2017, 01:43:25 PM

Title: mz > 1000
Post by: hhabra on August 17, 2017, 01:43:25 PM
It appears that all mz's captured by XCMS are less than 1000, when other methods have found features with greater than 1000.  I'm wondering if it's possible to acquire metabolite features with mz > 1000 using XCMS.

Thanks to whoever can help!
Title: Re: mz > 1000
Post by: Jan Stanstrup on August 18, 2017, 03:09:46 AM
In my dataset I get features > 1000 with no problems. Are you sure your data contains data above 1000 Da?
If you are sure your data has peaks > 1000 Da your best bet is to post a reproducible example with code and sample data.
Title: Re: mz > 1000
Post by: jjjvanderhooft on August 18, 2017, 04:47:36 AM
Check the settings of your acquisition method - 1000 is often used as higher end cut-off for the mass window. Also, the tuning influences the number of peaks you will detect above m/z 1000....