Nesvilab / FragPipe

A cross-platform Graphical User Interface (GUI) for running MSFragger and Philosopher - powered pipeline for comprehensive analysis of shotgun proteomics data
http://fragpipe.nesvilab.org
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TMT on timstof #1050

Open rudnickp opened 1 year ago

rudnickp commented 1 year ago
fcyu commented 1 year ago

It is one of the feature we are going to add in the near future. If everything goes well, it should be ready by the end of this year. Stay tuned.

Best,

Fengchao

rudnickp commented 1 year ago

Hi Fengchao, Can you elaborate on what the current incompatibilities are?

Thanks Paul

fcyu commented 1 year ago

Hi Paul,

FragPipe currently replies on Philosopher to 1) extract TMT channel intensities from MS2; and 2) extract MS1 intensity. However, Philosopher cannot read .d format or perform 4-D feature detection. Converting .d to .mzML does not solve the problem, as it still requires 4-D feature detection. Moreover, the conversion process is very time-consuming and requires a lot of disk space, which makes the user experience poor.

The solution is straightforward. Since FragPipe already has IonQuant that can perform 4-D feature, we just need to switch the aforementioned steps to use IonQuant. This feature request has been one of our top priorities. Should be available in the near future.

Best,

Fengchao

rudnickp commented 1 year ago

Thanks for your response. All makes sense. FYI- I have some very recent files from Bruker where the de-noising steps are done in real time, resulting in file sizes 10-100X smaller than previously. Perhaps this will help your effort.

Best Paul

fcyu commented 1 year ago

Hi Paul,

Thanks for the info. It will largely reduce the CPU time and memory requirements of the 4-D feature detection.

It would be great if you could share some of the testing data with us. I will send a link to upload the files if you need.

Best,

Fengchao

rudnickp commented 1 year ago

Yes, feel free to send a link.

fcyu commented 1 year ago

Sounds great! Here is the link: https://www.dropbox.com/request/VPQzvEtK8aU4t9CjwfDp

Thanks,

Fengchao

witszymanski commented 9 months ago

Hi all!

Any update in this field? Would be great to finally get rid of MQ.

Greets!

Witek