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Topic: Not detecting/integrating both partially-separated peaks (MS-DIAL v4.48 Windows) (Read 251 times) previous topic - next topic

Not detecting/integrating both partially-separated peaks (MS-DIAL v4.48 Windows)

Hello all,

I am trying to have MS-DIAL detect partially-separated peaks and have so far been unsuccessful.

The attached result was generated using MS1 detection threshold 1000, smoothing level 0, minimum peak width 2, and retention time tolerance 0.01 min. I've also tried detection threshold 1000-3000, smoothing level 0-3, minimum peak width 2-5, and retention time tolerance 0.01-0.05 min without any better luck.

From what I can tell, MS-DIAL is splitting these closely-eluting peaks at the correct place, but it is only integrating the second peak. I am not seeing a anything in the peak spot viewer corresponding to the first peak, which I would expect to be about 2.00 min and 609.145 m/z.

How can I get the first peak integrated as well? Which parameters can I adjust? This is my test peak, but there are several other peaks like this in my samples.

Many thanks in advance for your help! Hope everyone is doing well out there :-)

Taylan



Re: Not detecting/integrating both partially-separated peaks (MS-DIAL v4.48 Windows)

Reply #1
Thanks, the left peak recognition may be skipped in the current algorithm. Can you share one of your data with me to modify the source code?
Thanks,

Hiroshi

Re: Not detecting/integrating both partially-separated peaks (MS-DIAL v4.48 Windows)

Reply #2
Thank you for your help. I sent you a personal message with information about the raw data file.

Re: Not detecting/integrating both partially-separated peaks (MS-DIAL v4.48 Windows)

Reply #3
Dear Dr. Tsugawa,

Have you been able to make any progress on modifying the source code?

Many thanks,
Taylan