HPLC Chromatogram pre-processing

[dmccloskey]

Description

Peaks on the lower end of the calibration curve (i.e., peaks with a small peak height and low s/n) are not identified during peak picking

Objectives

• [x] implement a raw chromatogram filter that extracts specific retention time windows before peak picking
• [x] zero the baseline of the chromatogram so that no point is below 0 intensity while maintaining the relative intensity of all points in the chromatogram.

Tests/Validation

1. split of a single HPLC chromatogram into e.g., 4 different chromatograms with subwindows (i.e., split chromatogram A [0-10 min] into chromatograms B1-4 of [0-2 min], [2-4 min], [4-8 min], [8-10 min]). Note that the exact implementation will depend on the test data used.
2. zero the baseline of a chromatogram with multiple points that are below 0 signal intensity so that the resulting chromatogram has baseline subtracted peak heights that are the same as the original, but no intensity is below 0.

[pcolaianni]

The methods were merged, with names removePeaks and subtractMinimumIntensity