Calculates regression models for a permutation of all GC columns contained in the selected RI database file. The method used for creating the model is either based on a 3rd degree polynomial or a standard linear model.
The Minimum number of residuals option will only allow regression if the columns it is based on has at least that number of datapoints on the same compound.
Filtering is possible by setting an upper limit for the p-value and / or a lower limit for the R squared value. The produced logfile will state how many models have been discarded due to this filtering. The output model file also includes the p-value and R squared value for each created model.
Graphical output of the models is available by selecting the plot option which shows the data points used for the model as well as the fit itself and the range of data that will be usable.
Notes
The output file produced by this tool is required as input for the CasLookup tool when selecting to apply regression when finding hits in the RIDB.