Can you send a few lines of the *.cv file? I think you need a / in your
format stts to indicate the next line..
Here is one I prepared earlier!
John Bruning wrote:
To add to the recent CNS to CCP4 discussion, I am having trouble with
CNX .cv conversion to .mtz using F2MTZ (import). The .cv file seems
like it contains more information than the CNS .cv file. One line
contains information for the HKL index, IOBS, SIGI, FOBS, SIGMA, and
TEST. The information for one reflection is so long that it spills
onto a second line. Here is how I set up the F2MTZ input in ccp4i:
skip first 10 lines
(6X, 3F5.0, 6X, F10.3, 6X, F10, 6X, F10.3, 26X, F10.3, 6X, F10.3)
Hindex H
Hindex K
Hindex L
Jintensity IOBS
Qstddeviation SIGI
FStructurefactor FOBS
Qstddeviation SIGMA
XXPLORfree FreeRflag
Are my import labels right? Do I have to change the Fortran
formatting somehow for things that spill onto a sceond line?
Thanks
Here format is
(6x,3F5.0,6x,F13.0,6x,F13.0,/,27x,F11.0,7x,F11.0)
Input H K L Iobs SIGIobs Fobs SIGFobs
etc
{* CNS file testu_combo.cns converted from hkl file testu_combo.sca4
Converted by program to_cns *}
NREFlections= 7581
ANOMalous= FALSe
DECLare NAME=IOBS DOMAin=RECIprocal TYPE=REAL END
DECLare NAME=SIGI DOMAin=RECIprocal TYPE=REAL END
DECLare NAME=FOBS DOMAin=RECIprocal TYPE=REAL END
DECLare NAME=SIGMA DOMAin=RECIprocal TYPE=REAL END
INDEx= 0 0 8 IOBS= -0.70 SIGI= 1.20
FOBS= 0.00 SIGMA= 0.00
INDEx= 0 0 12 IOBS= 1.50 SIGI= 1.60
FOBS= 1.22 SIGMA= 1.22
INDEx= 0 0 16 IOBS= -4.00 SIGI= 2.50
begin:vcard
fn:Eleanor Dodson
n:Dodson;Eleanor
email;internet:[EMAIL PROTECTED]
tel;work:+44 (0) 1904 328259
tel;fax:+44 (0) 1904 328266
tel;home:+44 (0) 1904 424449
version:2.1
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