Hi,
I am able to get F2MTZ to read the .cv file from CNX now. But now I am getting a problem with my labels, specifically it is saying my Rfree flags are all the same (even though they aren't). Also, for some reason CNX includes intensity and amplitude- I am not sure how to classify amplitude. In ccp4i my in put columns look like this:
Data type and label for input fields:
1. H index H
2. H index K
3. H index L
4. J intensity IOBS
5. Q std deviation SIGI
6. R other real FOBS
7. Q std dviation SIGMA
8. X X-PLOR Rfree TEST
I have my fortran setup as: (6X,3F5.0,6X,F11.0,6X,F10.0,6X,F10.0,/,25X,F10.0,6X,F10.0) for this type of .cv:
INDE 0 0 6 IOBS= 232.800 SIGI= 15.200 FOBS= 15.260
SIGMA= 0.510 TEST= 0
INDE 0 0 7 IOBS= 6569.500 SIGI= 241.200 FOBS= 81.050
SIGMA= 1.500 TEST= 0
INDE 0 0 8 IOBS= 5289.400 SIGI= 270.500 FOBS= 72.730
SIGMA= 1.880 TEST= 0
INDE 0 0 9 IOBS= 2857.100 SIGI= 148.900 FOBS= 53.450
SIGMA= 1.410 TEST= 1
Thanks
Title: CNX2MTZ Fortran problem fixed, labels not
- [ccp4bb]: CNX2MTZ Fortran problem fixed, labels not John Bruning
- Re: [ccp4bb]: CNX2MTZ Fortran problem fixed, labels no... Eleanor Dodson
