采用开源软件优化多元校正中的基线校正

Optimal Baseline Correction for Multivariate Calibration Using Open-Source Software

基线的选择往往根据目测其在指定谱图上的影响而决定。目前已提出一个更加客观的算法程序,用于统计分析中基线校正及其参数选择。这篇后续文章使用一个免费软件教程将该程序应用于新的数据。其目的是要表明,优化的潜在好处是免费、易得的,并提醒读者基线校正中一些可能的陷阱。

Baselines are often chosen by visual inspection of their effect on selected spectra. A more objective procedure for choosing baseline correction algorithms and their parameter values for use in statistical analysis has been proposed. This follow-up paper applies the procedure to new data through a tutorial using free software. The aim is to show that the potential benefits of the optimization are easily and freely available, and to remind readers of some of the possible pitfalls of baseline correction.