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Hello Andrew-- > I have noticed when I use this script with my data that I get this > > WARNING: large difference in mode (maximum of distribution) > calcDaRh.py(385): print " observed: %7.3f calculated: %7.3f" % > (modeObs,modePowder) > observed: 5.920 calculated: -19.595 > > > I realize that this means the calculated result isn't representative of the > data. Does this mean I can not use this script with my data? Is there a > common error I may have made with the data that causes this error? I think there's a bug in the released version of calcDaRh.py. Please grab an updated version from http://nmr.cit.nih.gov/xplor-nih/updates/current/ The warning may go away with the new version. thanks-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFG4GnJPK2zrJwS/lYRAvMZAKCD3V68SP3wmMcOaiZpoCWKRSabtACfWE2q Wq52g4t+X5iEUbLC/6qOc1o= =rkev -----END PGP SIGNATURE-----
