In order to compare the peak selection accuracy of the QMIP method over currently implemented methods, a comprehensive data set consisting of LC-MS, GC-MS, and HPLC data will be used to benchmark the two algorithms
Objectives
[ ] re-implement "validation" workflow in C++
[ ] any remaining data cleaning of the raw data files and expected retention time values
[ ] table of test statistics comparing the two algorithms
Description
In order to compare the peak selection accuracy of the QMIP method over currently implemented methods, a comprehensive data set consisting of LC-MS, GC-MS, and HPLC data will be used to benchmark the two algorithms
Objectives