资 源 简 介
1. Introduction
A practical and handy peak alignment method (alignDE) is proposed, implemented in this research for first-order chromatograms, which basically consists of five steps: (1) chromatograms lengths equalization using linear interpolation; (2) accurate peak pattern matching by continuous wavelet transform (CWT) with the Mexican Hat and Haar wavelets as its mother wavelets; (3) flexible baseline fitting utilizing penalized least squares; (4) peak clustering when gap of two peaks is larger than a certain threshold; (5) peak alignment using differential evolution (DE) to maximize linear correlation coefficient between reference signal and signal to be aligned.
2. Installation
2.1 alignDE 2.0
What New of alignDE 2.0:
By taking the advantage of sparse matrix in R package "Matrix", we implemented the sparse version of whittaker smoother and alignDE alogrithm. Now the speed of alignDE 2.0 is much faster when correct
