smeerten / ssnake

A program for the analysis of NMR data.
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Make folded 2D spectrum #154

Closed jtrebosc closed 2 months ago

jtrebosc commented 9 months ago

2D MQMAS experiments are often folded. However when calculating the simulated spectrum, frequencies in F1 falling outside the spectral window are dismissed. Note that chemical shift distribution appears folded. However as soon as the calculated peak falls ouside, the whole distribution disappear. This is because CS distribution is treated as gaussian broadening after frequencies are treated by histogram. Therefore MQMAS spectra should be folded in F1.