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For each spectrum the NMR acquisition time was 4 days.
The appropriate Response Matrix Files (RMFs) and Ancillary Response Files (ARFs) are created for each spectrum.
The SNR for each spectrum was calculated over the whole diffraction order, excluding spectral intervals with gaseous features.
The excitation wavelength was 324 nm for each spectrum.
For each spectrum, 32 consecutive scans with a resolution of 0.6 cm−1 were averaged.
Maps were recorded using 4 microns step and 40 scans for each spectrum.
Here, an attempt is made to estimate an optimal value for each spectrum.
Typically, 64 scans were performed for each spectrum with 4 cm−1 resolution.
For each spectrum 60 points were collected, with a logarithmic distribution of 10 points per decade.
For each spectrum, two doublets were required in the central region to give good fits.
Spectral resolution was 4 cm−1 with 16 scans taken for each spectrum.
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