Search results

WFAC1=1 WFAC1=1

...S). Prevention of outlier rejection would be also obtained by using (e.g.) WFAC1=2. NBATCH=1 removes any basic scaling done by CORRECT (as referred to by [h

...g [[FAQ#reducing_WFAC1_below_its_default_of_1_improves_my_data.2C_right.3F|WFAC1]]. It may be helpful to increase WFAC1 from its default 1.0 to 1.5, to avoid rejection of the strongest Bijvoet pa

=== reducing WFAC1 below its default of 1 improves my data, right? === Actually, most likely not. Outlier rejection is a tricky business. Reducing WFAC1 ''will'' improve the numbers in the tables, but the merged (averaged) data

...mber of misfits is more than 2.5% whereas one should expect about 1% (with WFAC1=1). ...ut the external ones got significant better!''' The number of misfits with WFAC1=1.5 dropped to 196 / 436 for datasets 1 and 2, respectively.

...out 1% of observations. If you feel that 1% is too much then just increase WFAC1, to, say, 1.5 - that should result in rejection of less than (say) 0.1%. Th ...alous signal (of the 6 sulfurs) to be significant, or one simply increases WFAC1 from its default of 1, to (say) 1.2 .

WFAC1=1.25 ! XDS/XSCALE defaults are 1.0/1.5

OVERLOAD= 65000 MINPK= 75.0 WFAC1= 1.0