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mtz2various seems to get stuck at the following point:
Every nmon-th reflection monitored
RESOLUTION: followed by Resmin RESMAX (As or s)
Applied to some output terms like structure factors.
SqRootI: Input I SIGI - Output F SIGF
F is set = Sqrt(I) for I >=0; 0.0 if I < 0.0
SIGI = SIGI/2*F
Data flagged as missing will have values set to <num> (default 0.0).
If omitted then reflection will be omitted if any data is flagged as
I am using the following script on OSX:
# Convert MTZ file (including free R) to CNS format with anomalous data.
# F(+h +k +l) and F(-h -k -l) are reconstructed from FP and DP.
# CNS header lines are written automatically.
mtz2various hklin 3_27_03_run1_trn.mtz HKLOUT 3_27_03.hkl <<+
LABIN FP=F SIGFP=SIGF FREE=FreeR_flag
EXCL SIGP 0.01
Any ideas as to what is going wrong?