-----BEGIN PGP SIGNED MESSAGE-----
is it just a typo, or do your last two sentences say that your data DO
NOT scale in P312 but scale well in P321?
Did you try pointless for space group determination? I have not used
molrep for this purpose and cannot judge how reliable the self rotation
function is for space group determination.
Depending on your resolution and cell dimensions you may have very few
reflection for determining the screw axis.
Do your data suffer from radiation damage, does the cell become greater
during integration? Did you fix the detector distance during integration?
On 04/04/12 23:07, Deepthi wrote:
> Hello everyone
> I have a problem scaling the MAD data which was collected a week ago.The
> data was collected at 1.5A resolution using three wavelengths for Zn-MAD
> experiments. Scaling the data for MAD experiments, the number of rejections
> and chi2 values were very high even after adjusting the error-scale factor
> and error model. The space group i used was p312 which i obtained by
> running a self-rotation function in MOLREP. When i scale my data using p312
> spacegroup the chi2 and rejections were huge. But he data was scaling well
> in p321 spacegroup. can anyone explain whats going on?
> Thank you very much
Dr Tim Gruene
Institut fuer anorganische Chemie
GPG Key ID = A46BEE1A
-----BEGIN PGP SIGNATURE-----
Version: GnuPG v1.4.12 (GNU/Linux)
Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/
-----END PGP SIGNATURE-----