We have conducted an analysis on Gracilaria tenuistipitata using ethanolic and isopropanolic extracts, processed through FTIR, GC-MS, and HPLC. Specifically, for the FTIR data, we performed baseline correction following standard procedures and applied a 20-pixel smoothing filter to enhance the clarity of the spectra. Understandably, this baseline-corrected data slightly differs from the raw spectra obtained directly from the instrument, showing minor variations due to the processing.
Our key question is: Is it standard and acceptable practice to publish FTIR spectra that have been baseline-corrected and smoothed, or should the original, noise-inclusive spectra from the instrument be used instead? We are looking for insights into best practices for presenting FTIR data in publications, balancing data clarity and authenticity. Your expertise and guidance on whether to prioritize clarity (with baseline-corrected data) or raw data (with inherent noise) would be invaluable.
I would say it is common to show processed spectra in the publication. For reproducibility reasons you should describe accurately in the methods section what you did.
If the processing involves large changes to the spectrum, you could place the unprocessed spectrum in the supplement; I once did that for the case that a Raman spectrum was dominated by a glass background while the actual material only gave rise to a set of wiggles on said background. Alternatively, nowadays putting research data in a repository is also an option, that would ensure maximum tranparency.
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