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If Eleanor's version doesn't work, try the trick I did when I got fed up
trying to remember how the line break works: eliminate the line breaks!
For example, consider the fragment of file that Eleanor provided:
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
Globally replace '\n FOBS' with ' FOBS' (I use nedit
to do this but any text editor should work, even tr) and all your
reflections should be on one line. Repeat as needed for multi-line files -
I got an entire cross-validated MAD dataset into mtz this way.
- Matt
--
Matthew Franklin phone:(917)606-4116
Senior Scientist, ImClone Systems fax:(212)645-2054
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New York, NY 10014
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