I have 10 spectrums from a sample to assess FTIR-ATR's repeatability. I have the spectrums in excel with an average, STDEV, and %CV of each transmittance, over the 400-4000cm-1 wavenumber range. which is a lot of values. To determine the repeatability of the FTIR-ATR, do i need to talk about the %CV of every peak, or just 1 peak - which is acceptable, and what %CV is acceptable? I can't find any guidelines online that are free to access for method validation: repeatability. This is for my research project about PET plastic fogging after heating.
Thank you
If your method is for only identification of the compound, then it needs to do the only specificity where you can assign various observed frequencies (wavenumber) to the functional groups of the compound. This is as per USP general chapter . As your technique used is ATR this test must be only for identification.
Hi Nathan Daves ,
you can have an idea in Article Repeatability and sensitivity of FTIR ATR spectral analysis ...
and you can find other free to access searching in internet.
Anyway, 1 sample is not enough to have a good estimation, especially using chemometric techniques.
Good luck with your interesting research project.
To calculate the reproducibility, it is sufficient to take one peak. It should be intense, but not exceed the maximum recorded value of the optical density. The suitable peak will be determined by the film thickness and spectral resolution, it can be 725 (720 + 730) or 1467.
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