now read the integrals, reformat them into csv format and write them out to integrals.csv Get the 5 file header lines (ignoring them in this case) (void)sprintf(path,"%s/data/%s/nmr/%s/%d/pdata/%d/integrals.csv",disk,user,name,expno,procno) region are summed up as the integral for that. Proc_err(DEF_ERR_OPT,"integral not found") Mnova parses the arrayed parameters automatically and displays them in the Arrayed Data. (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
If that suits you, fine.otherwise read on. It pains me to see you have to resort to mouse clicks.
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