Description Usage Arguments Details Value Examples
View source: R/calculateJaggedness.R
Calculates the Jaggedness of the integrated region of a chromatographic peak. The Jaggedness is found by determining the fraction of time points the intensity of the peak changes direction - excluding the peak apex and any intensity changes below a flatness factor.
1 | calculateJaggedness(peakData, pts, flatness.factor = 0.05)
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peakData |
A vector containing characteristic information about a chromatographic peak - including the retention time range |
pts |
A 2D matrix containing the retention time and intensity values of a chromatographic peak |
flatness.factor |
A numeric value between 0 and 1 that allows the user to adjust the sensitivity of the function to noise. This function calculates the difference between each adjacent pair of points; any value found to be less than flatness.factor * maximum intensity is set to 0. |
This function repurposed from TargetedMSQC. Toghi Eshghi, S., Auger, P., & Mathews, W. R. (2018). Quality assessment and interference detection in targeted mass spectrometry data using machine learning. Clinical Proteomics, 15. https://doi.org/10.1186/s12014-018-9209-x
The jaggedness of a chromatographic peak (double)
1 2 3 4 | # Calculate Jaggedness for a peak
data(ex_pts)
data(ex_peakData)
jaggedness <- calculateJaggedness(peakData = ex_peakData, pts = ex_pts)
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