Data for: "Unlocking the potential of LC-MS through an XIC-based algorithm for chromatographic optimisation"

<p>This dataset is for upload of supplementary info and data for my master research thesis at the University of Amsterdam.</p> <p>All the compounds in each pesticide mix of the RESTEK multiresidue kit can be found along with some descriptors.</p> <p>For easy use of the developed algorithm without having to generate any mzxml files, a few files are included on which SAFD and&nbsp;CompCreate have already been performed using three different LC methods, Their gradients are also provided. To run the code, a package has been developed and is ready for installation at:&nbsp;https://github.com/tobihul/LC_MS_Resolved_Peaks.&nbsp;</p> <p>&nbsp;</p>