now read the integrals, reformat them into csv format and write them out to integrals.csv The results table generated by this script also contains the iodine value (IV) of all. Get the 5 file header lines (ignoring them in this case) Result window shown in MestReNova after completing the automatic analysis. (void)sprintf(path,"%s/data/%s/nmr/%s/%d/pdata/%d/integrals.csv",disk,user,name,expno,procno) Unlike 1 H NMR, we are generally unconcerned about ensuring that integral values from different peaks can be compared. Proc_err(DEF_ERR_OPT,"integral not found") TLDR: The aim of optimizing 13 C acquisition parameters is achieving the best overall signal-to-noise ratio (S/N) for the most peaks of interest in the least amount of time. (void)sprintf(path,"%s/data/%s/nmr/%s/%d/pdata/%d/integrals.txt",disk,user,name,expno,procno) The following code is maybe more what you need (you will end up with a csv file called "integrals.csv" in your proc directory: int i, iIndex Ĭhar h1,h2,h3,h4,h5 file which unlocks the full functionality of the MestreNova 11+ program for. If that suits you, fine.otherwise read on. For NMR data, version 11 of the Mestrenova software is required to process.
It pains me to see you have to resort to mouse clicks.
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