Help for MSCorrect (MSC)

I. Description

Often detecotrs on analytical instrumentation will have a slow drift that will lead to an additive error in the spectra. Mutiplicative noise is added to the spectra by small variations in the path length. The MSCorrect or (MSC) algorithm removes these multiplicative and additive errors from spectra. These errors are sometime removed by taking derivatives of the spectra, MSC has the advantage that the spectra retain their orginal structure and absorbance values.

The routinr calculates the mean spectra of an input set of spectra. This mean spectrum is then plotted vs. each spectra in the data set individually. Ordinary least-squares regression is performed resulting in a caluclated slope and intercept. The intercept of this fit is subtracted from the spectrum and then the spectrum is divided by the slope resulting in a scatter corrected spectrum.

II. Example

Figure one shows a set of smoothed, but unscatter corrected near-ifrared data.




Figure two shows the same set of data after MSCorrect is used on the data.



III. The format of the call:

In Mathematica the call is:

output = MSCorrect[spectra];

output will then become a list with two elements as follows:

1. 1. The scatter corrected version of spectra.
2. 2. The coeeficients used in the correction, in case it should be necessary to undo the correction.