Dataset: Cumulative neutral loss model for fragment detection in HRMS data

Dataset containing the HRMS database for construction of the CNL model and a list with database fragments and true negative database fragments that were used to optimize the model.

Additionally, for testing of the model, the dataset contains the suspect screening files for evaluation of the correct and wrong detected fragments signals and a file for each dataset containing the extracted signals. The latter contains a list of signals, their true or false classification according to the suspect screening, and whether the CNL score, pearson correlation coefficient, and retention time difference between the signals ans the parent ion.