Timo Sachsenberg
Timo Sachsenberg
@copilot see ``` creating new temporary filename 'TOPPBase_test_497.tmp' (line 374) - line 537 : TEST_EQUAL(p1,p2): got '"TOPPBaseTest|version" -> "3.5.0-pre-HEAD-2025-11-17" (Version of the tool that generated this parameters file.) "TOPPBaseTest:1|test" ->...
for discussion... actual issue would also need implementation in decharger. @cbielow or @FabianAicheler
@copilot see the last comment! Do it or I will call Julianus!!!
@jpfeuffer what is the correct logic here? let's give this issue a last change :)
needs to be tested but I think this could be useful if we want to deploy a minimal openms lib (without extra xml files)
I like it. One minor thing: maybe consider using names that match to common design pattern terminology. Using DataFrameInterface and PandasDataFrameAdapter instead of e.g. wrapper
I wonder if we could do better here by default? e.g. estimate that tolerance window somehow or detect mass drifts in certain samples.
- I think it is not a true stdev but maybe can be used - This would not capture calibration error is this based on a consensus feature? Because then...
For a very rough estimate, I think this could help, but my feeling is that with so many samples choosing e.g, 3*stdev will not give a lot of improvement e.g....
Wouldn't it be better to use the one that FFM found in exactly that file? e.g., if features are off +-10 ppm in the consensus then the high quality feature...