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Spectronaut params #437

Merged
merged 9 commits into from
Nov 13, 2024
Merged

Spectronaut params #437

merged 9 commits into from
Nov 13, 2024

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wolski
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@wolski wolski commented Nov 11, 2024

This pull request implements the parsing of spectronaut parameters.

@wolski wolski requested review from rodvrees and enryH November 12, 2024 08:28
@wolski wolski marked this pull request as ready for review November 12, 2024 08:29
Analysis Date: 08-November-2024 11:46:55 UTC+0


[BEGIN-SETTINGS]
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amazing how so many can have custom format. I guess this for human readability. Should we ask them if they also have a machine readable version?

quantification_method,MS2
second_pass,directDIA+ (Deep)
protein_inference,IDPicker
predictors_library,: False
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I think this can be parsed better?

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some of the parameters need a bit of stripping. and I think for a future iterations we might ask for an easier format - I imagine this can easily lead to a fragile parsing experience when they update their log.

wolski and others added 2 commits November 12, 2024 14:04
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wolski commented Nov 12, 2024

@enryH, they are now parsed better. I sent an email to BGS support and asked for a machine-readable format and if they could report a number instead of "System Default." But for now, it's how it is.
Since you typically start a spectronaut analysis from a GUI, the BGS Factory Settings.txt is the only one we have to parse the parameters from, as far as I can see.

@wolski wolski requested a review from enryH November 12, 2024 14:33
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wolski commented Nov 13, 2024

This is what BGS support writes:

In the case of MS1/MS2 Mass Tolerance Strategy, the System Default values can be found by hovering over the setting name. Additionally, this information can be found in the Spectronaut user manual. As you can see, this value depends on the type of mass analyzer used in the experiment.

image

I will replace System Default with 40ppm.

@wolski wolski merged commit ff0c6b6 into main Nov 13, 2024
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@wolski wolski deleted the spectronaut_params branch November 13, 2024 08:29
@wolski wolski mentioned this pull request Nov 15, 2024
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3 participants