30 abr. 2014

NIR spectra mixture simulation of 3 ingredients (with R)

These are the spectra of  Lactose from the previous post, multiplied by a sequence of scalars from 1 to 0.1 steps.
 
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These are the spectra of  Soya  from the previous post, multiplied by a sequence of scalars from 1 to 0.1 steps.

These are the spectra of Lactose from the previous post, multiplied by a sequence of scalars from 1 to 0.1 steps
These spectra were calculated developing a sequence of all possible combinations of these 3 ingredients, let´s call Lactose as A, Soya as B and Gluten as C, so the combinations in this case would be:
 
A         B        C
1          0         0
0.9       0,1      0
0.9       0         0.1
0.8       0.2      0
0.8       0.1      0.1
0.8       0         0.2
.......     .....      ......
.......     ......    .......
0          0         1

We obtain 66 posible combinations.
The sequence for every product (A, B, and C), multiplied by the spectrum of each product, give us the spectra shown in the previous figures, so now we can sum the 3 matrices to get spectra simulation of these 3 ingredients at different concentrations (from 0 to 100%).
Now we can apply a treatment like SNV to normalize the spectra.
 
 

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