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Tarskin / HappyTools

A tool for the (high-throughput) processing of HPLC data.
Apache License 2.0
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Automatic peak detection crashes on supplied file #18

Closed Tarskin closed 6 years ago

Tarskin commented 6 years ago

plasma-control_37_Emission_1.txt

Performing automatic peak detection on the attached sample (with a Minimum Intensity of 0.01) crashes HappyTools with an empty i['Data'] array. The cause was that the 'peak' value was 25.65 while the data covered the 24.52 to 24.75 range, this causes the entire data set to be discared during overlap removal.

Tarskin commented 6 years ago

The peak value derives from the original maximum data point in the original (non subsetted data) while the data is subsetted (line 1039). The following change fixed the issue 'Peak':xData[np.argmax(yData)]to 'Peak':newGaussX[np.argmax(newGaussY)].