search

ElucidataInc / ElMaven

LC-MS data processing tool for large-scale metabolomics experiments.
https://resources.elucidata.io/elmaven/
GNU General Public License v2.0
88 stars 52 forks source link

Getting same ID multiple times in Automated Feature detection output #616

Open sunil20dhakad opened 6 years ago

sunil20dhakad commented 6 years ago

I am working on untargeted metabolomics dataset. In the output of Automated Feature Detection, there are many ID's (mz@rt) which occur multiple times for same peak with little difference. image image image

shubhra-agrawal commented 6 years ago

@sunil20dhakad We tried to remove such duplicates recently but looks like a lot of times these groups have different intensity metrics even though the same peaks are involved. Peak height, areaTopNotCorrected and areaNotCorrected stay the same but due to different peak bounds between the groups, the other peak metrics change significantly.

We need to look into the root cause of this problem. If this is due to the Time Domain Resolution value or something else and how it affects the rt range of peaks.

saifulbkhan commented 4 years ago

@sunil20dhakad You should see less instances of these, but they're not gone completely, in v0.10.0. I am going to let this stay around, in case we want to revisit this issue later in the future.