Metabolomics Society Forum

Software => MS-DIAL => Topic started by: superman276 on March 29, 2021, 12:40:13 AM

Title: peak picking
Post by: superman276 on March 29, 2021, 12:40:13 AM
Hello

I can't get the the compounds in the attached picture to peak pick. It's 3 isomers.
The peak picking settings were:  min. peak height = 5000 amplitude;  mass slice width = 0.1 Da
I left most other settings at default.
Title: Re: peak picking
Post by: Hiroshi Tsugawa on March 29, 2021, 11:55:05 PM
Hi, not sure the reason, but try to set "1" for minimum data point width of peak detection tab as discussed in the below topic.
http://www.metabolomics-forum.com/index.php?topic=1609.0
Thanks,

Hiroshi
Title: Re: peak picking
Post by: superman276 on March 30, 2021, 09:33:55 AM
Hi Hiroshi

I'm not sure that's helping.  But, I haven't been able to try many times because the sample processing keeps hanging (the progress bar just stops mid-way). I'm not sure if anyone else is experiencing that.  I'm using the latest version.
Title: Re: peak picking
Post by: superman276 on March 31, 2021, 09:06:04 AM
I would say that processing hangs up about 99% of the time. Even with just 1-2 samples.
Title: Re: peak picking
Post by: superman276 on April 04, 2021, 12:10:23 PM
Hi,

I don't think it's just isomers.
Rather large, single peaks are also not getting picked.
This is Thermo RAW data without mzML conversion.
Also, you can see that, in the manual XIC table, you cannot delete entries in the table.
Title: Re: peak picking
Post by: Hiroshi Tsugawa on April 13, 2021, 07:45:04 AM
Not sure your data detail. Could you please send me one of your data with the PPT slides to explain the detail of your situation. The PPT slides containing ms-dial start up setting and parameter conditions' screenshots are very helpful for me.

Thanks,

Hiroshi