I am starting to use the new software Foss Calibrator, so I will publish some posts about how it works. I use in this case the software for some samples of meat for a viability study of the calibration, and the software improves the split of the sample set into a validation and a calibration set, giving several options like random, time based,...We can choose also if the validation set is into the range of the calibration set, so the model has all the validation samples into the range of the constituent calibration, this way we have quickly the calibration and validation set ready to develop the calibration.
For the calibration we have several options for the cross validation (leave one out, using blocks, venetian blinds,......).
We can choose for developing the calibration the options: mPLS, PLS, ANN or LOCAL.I try for this case the mPLS models.
We can select the wavelength range, so we have to look to the spectra to see how if looks and remove noisy part of the spectra, or remove the visible part,.....
The XY plot of Measured vs Predicted shows the calibration and validation samples overlapped and is quite useful for a quick idea of the performance of the model.
We have also the plot of the GH distances with the calibration and validation values overlapped:
We see the statistics of the model and this time the RMSEP is the total error and the SEP is the error with the bias correction which makes easier to compare the results with other software or literature.
We can publish the model (calibration and outlier model together) to a folder in our PC and get the ".eqa", ".pca", and ".lib" files to use in Win ISI or load in MOSAIC Network or Solo, and get a report of the calibration.
I will continue sharing my experience with Foss Calibrator with the Label "Learning Foss Calibrator"