-
Notifications
You must be signed in to change notification settings - Fork 47
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
one wide calibration to rule them all #2432
Merged
trishorts
merged 23 commits into
smith-chem-wisc:master
from
trishorts:softenCalibrationTolerance
Nov 8, 2024
Merged
one wide calibration to rule them all #2432
trishorts
merged 23 commits into
smith-chem-wisc:master
from
trishorts:softenCalibrationTolerance
Nov 8, 2024
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## master #2432 +/- ##
==========================================
- Coverage 93.69% 93.64% -0.05%
==========================================
Files 141 141
Lines 21883 21920 +37
Branches 3001 3004 +3
==========================================
+ Hits 20504 20528 +24
- Misses 927 935 +8
- Partials 452 457 +5
|
trishorts
requested review from
Alexander-Sol,
pcruzparri,
nbollis,
zhuoxinshi and
RayMSMS
November 1, 2024 16:37
elaboy
previously approved these changes
Nov 4, 2024
trishorts
changed the title
Soften calibration tolerance
one wide calibration to rule them all
Nov 8, 2024
nbollis
approved these changes
Nov 8, 2024
RayMSMS
approved these changes
Nov 8, 2024
Alexander-Sol
approved these changes
Nov 8, 2024
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
streamlined calibration tolerance. no longer start with narrow tolerance and move out. instead, start w/ wide tolerance. Two repeat calibrations are performed so long as the results stay the same or improved. When no calibration is performed, we write out a toml w/ optimized tolerances (new feature).
Minimum psms, ms1 points and ms2 points lowered by 20% to improve the number of files that get calibrated.
New precursor tolerances (3X inner quartile range)
New product tolerances (6X inner quartile range)
These tolerances yielded improved results in SOME files (but not always).
Original 4x tolerances are still used for those files that do not calibrate.