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We now mixed the remaining spectra to create 11 artificial datasets with mixtures ranging from 100% Kre strain to 100% BR strain by sampling spectra from the original datasets such that each dataset contained 3000 spectra in total.
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Samples spectra were collected in the range of 4000 500 cm−1.
Figure 3 Sample spectra and the associated weights.
Static sample spectra and flowing pure mannitol spectra proved to have a high degree of reproducibility.
Sample spectra are computed with respect to a reference spectrum which is taken before adsorption.
The light dotted line shows the sum of the singly-labeled sample spectra.
The high fluorescence of organic materials when dealing with Raman analysis made the sample spectra useless.
On the contrary, these peaks are virtually absent in the unmodified sample spectra.
The calibration and validation sets, and real samples spectra were collected with 32 scans from 850 1200 cm−1.
All samples were dried and analyzed soon after to avoid the effects of moisture uptake on sample spectra.
The values were presented as checksum K/S (the sum of K/S of all wavelengths of the samples spectra).
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