XIC

[im281]

Great utilities! Is there a function to generate extracted ion chromatograms (XIC) from a given mass and ppm tolerance?

[MatteoLacki]

That's on the to-do list on TimsPy: just working on it. Stay tuned.

[jsundaram-seer-bio]

Looking forward to seeing this supported functionality!

[MatteoLacki]

Hi,

Could you precise the input and output of the requested procedure?
What can be easily done is to set up some intervals in m/z and simply sum intensities of peaks falling in that intervals per one retention time moment [i.e. on per frame basis].
In that scenario, you would supply me with left and right borders for some mass to charge ratios, and I would sum intensities in MS1 frames (or MS2, what you want?) within each frame.
The output could look like a matrix with columns corresponding to different intervals and rows to different frames.
Is that what you want?

[baderd]

I am interested in a very similar question:

I would like to query by a MS1 mz range and by an ion mobility range. Then plot remaining all MS2 spectra.

How can this be achieved?

Thanks for your help!

I also placed it here: MatteoLacki/timsr#2