search

thermofisherlsms / iapi

Instrument Application Programming Interface
MIT License
44 stars 17 forks source link

APD is not performed when MS1 scan is placed via the IAPI #34

Open pisistrato opened 1 year ago

pisistrato commented 1 year ago

I have noticed that if the MS1 scan in placed via the IAPI, the returning spectrum is only centroided, the ICentroid.IsMonoisotopic flag is never TRUE. I was wondering if this is intended and whether it would be possible to apply APD also on custom scans in the future.

Tested on both Eclipse and Exploris, running the latest Tune versions available as of today.

jesse-canterbury commented 1 year ago

This was reported previously as well. I happy to say it's fixed in the latest Tune version 4.0 for tribrids. I will try to get some clarity on the situation for Exploris.

pisistrato commented 1 year ago

I was not sure the two things were related, not much info were provided in the other open issue :) I just saw 4.2 is out (we updated to 4.1 in November). If in 4.2 that is fixed I will install it and give it a try, please let me know when you know more. Thanks

pisistrato commented 1 year ago

I had a bit of time so I decided to upgrade the Tune and try myself. I can confirm, for Exploris under 4.2.362.16 APD is still not performed for IAPI-based MS1 scan, ICentroid.IsMonoisotopic flag is never TRUE.

pisistrato commented 1 year ago

Hi @jesse-canterbury, is there any update on this for the Exploris? I had to ask because I am working on a smart acquisition method, and although it already slightly outperforms the native DDA method, it would be nice to make a proper comparison to evaluate the full potential of my method. Unfortunately, the monoisotopic determination algorithm I have put together does not seem to perform that well...

Thanks :crossed_fingers:

jesse-canterbury commented 1 year ago

No updates for the moment, but a resolution will likely have to wait for a new version of Exploris control software. I'll try to get more information.

chhh commented 1 year ago

@pisistrato What is an APD scan?

pisistrato commented 1 year ago

Advanced Peak Determination. Well, no monoisotopes determination is performed at all on MS1 scans.

On Thu, Jul 13, 2023, 18:35 Dmitry Avtonomov @.***> wrote:

@pisistrato https://github.com/pisistrato What is an APD scan?

— Reply to this email directly, view it on GitHub https://github.com/thermofisherlsms/iapi/issues/34#issuecomment-1634552470, or unsubscribe https://github.com/notifications/unsubscribe-auth/AJC6DX4IZBRREN25LXSXUVDXQAPVNANCNFSM6AAAAAAUNNOXGM . You are receiving this because you were mentioned.Message ID: @.***>

chhh commented 1 year ago

@pisistrato Thank you!