Hi Eleanor,
I actually add the wavelength to an mtz file with CAD:
cad \
HKLIN1 $WORKDIR/raw_nowavel.mtz \
HKLOUT $WORKDIR/raw.mtz \
<<eof >> $WORKDIR/mtz_creation.log
LABIN FILE 1 ALLIN
DWAVELENGTH FILE_NUMBER 1 1 $WAVELENGTH
END
eof
I have no experience adding dataset names as these are inherited from the mmCIF
reflection files I use.
Cheers,
Robbie
> -----Original Message-----
> From: CCP4 bulletin board <[email protected]> On Behalf Of Eleanor
> Dodson
> Sent: Tuesday, April 5, 2022 15:47
> To: [email protected]
> Subject: [ccp4bb] sftools
>
>
>
> Does ANYONE know how to use this useful but ultra-frustrating program??
>
> I have an mtz file which lacks WAVElength AND Dataset name.
>
> I try to follow the sftools documentation, and get an output file which -
> lacks WAVElength AND Dataset name.
>
>
> Grrrr
>
>
> sftools <<eof
>
> READ "detwin_job1-IMEANa.mtz" mtz
> SET DWAVE 1.2 WAVElength AND Dataset name.
> write "detwin_job1-IMEANab.mtz" mtz
> EXIT
> YES
> eof
>
>
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