Dear Georg,
the option [y] in xprep from where you also get the data statistics
prints the CC of your data set and also of two data sets if available.
You can write it to a postscript file - in case you want the numbers for
any reason you can read the postscript file as it is only a text file.
Yo
Dear Georg,
When you start SADABS, the first question is whether you rquire 'expert
mode'. This mode asks more questions to set additional parameters. If
you select expert mode, the second question is the maximum number of
reflections. 200 is merely the default value. I would be interested
Dear George and Phil, thanks a lot for the fast answers. Things are
unfortunately a bit more complicated and the usually very convenient way using
SAINT-SADABS-XPREP has too much limitations for this datasets because
1. It starts with that one datasets has more than 2.000.000 reflections (space
As George says, you can do it all with Bruker programs
However, Pointless is supposed to read .raw files, but when I wrote the code
(at the request of a user) I didn't have complete information, so I may have
missed something. The error message is from somehow getting a zero or negative
batch
Dear Georg,
Since you collected your data on a Bruker machine and integrated them
with SAINT you should simply scale the .raw files with the Bruker
program SADABS and then read them into into XPREP. This can scale the
two datasets together and produce either merged or unmerged but scaled
data
Dear all, I have collected 2 datasets (space group P1, resolution 1.4) on a
bruker machine using Proteum2 v2014.9-0 software. I integrated both datasets
with SAINT and would like to continue with Pointless - SCALA - Truncate to
finally get*scaled but unmerged data* to be able to calculate C
