One of the strategies that we have to do when developing a new calibration is to inspect visually the spectra, with the idea to remove or mark the apparently clear outliers. In the case of Win ISI, if we have a lot of samples it is easy to see them but takes a lot of time find them to delete them.
That point is improve with Foss Calibrator where we can select them with the mouse and mark them as spectral outliers.
There are many reasons for a sample to be an spectral outlier: Instrument was not warmed up, failure in the instrument (lamp or mechanical noise), not a good sample presentation, temperature, or simple that the sample is very different from the rest.
This is the case of soil samples and we start selecting the ones that seem noisy or different from the rest:
We can keep those samples for further detail in a spectra outlier sample set, that at the same time has lab fata in order to validate with them to check if the calibration can extrapolate.
Hola Jose, muchisimas gracias por tu contribucion en el blog. Es realemente muy valiosa.
ResponderEliminarJose, sabes tu que tipo de centering aplica FOSSCalibrator luego de aplicar el preprocessing. Especificamente, sabes si aplica Mean Center or Media center o que tipo de scaling or centering? Estoy tratando de reproducir el spectros que me da FOSSCalibrator despues del preprocessing en otro software y no lo logro.
Muchisimas gracias Jose!
Saludos
Julieta
Hola Julieta,
EliminarGracias.
Es cierto que han cambiado algunos de los tratamientos de Foss Calibrator.
Que tratamientos son los que estan usando en concreto?
Ya los de Win ISI eran en arte distintos a los de los otros softwares, y Foss Calibrator,en un principio, usaba los mismos que Win ISI pero algunos nos han comentado que han cambiado.
Saludos
José Ramón