Hi everyone!
I have a problem when I use mlphare
Sure you do have a problem: you actually do use mlphare !
... with no intension to offend Eleanor's favorite program,
mlphare was a step forward in phasing, but about 20 years ago.
SHARP really put M(S)IR(AS) phasing in a new dimension, and SOL
What are you assigning as FP and FPH?
Can you send the complete command script?
You have set a "real occupacy to 1.0 which is not appropriate if FP and
FPH are equal - it should be 0.000
But I await you complete script..
Eleanor
Alpharyun Ni wrote:
> Hi everyone!
>
> I have a problem when I use
Hi everyone!
I have a problem when I use mlphare to refine against the anomalous data of
mir set.
The following lines are what I set for one of my heavy atom sites:
deriv AU wave 1.0391 fpr -15 fdp 10
dcycle phase all refcyc all kbov all
exclude sigfph 3.0
exclude diso 402.0
atom AU 0.318 0.6
