Yes it should change in a new format to replace MTZ
Sent from my iPhone
> On 24 Jun 2017, at 11:52, Eleanor Dodson wrote:
>
> This reminds me - one of the sensible things in SCALEPACK unmerged is it
> lists explicitly:
> (h k l) unique followed by (h' k' l')
This reminds me - one of the sensible things in SCALEPACK unmerged is it
lists explicitly:
(h k l) unique followed by (h' k' l') measured. I think the M/ISYM was
introduced to save file space but it is kind of redundant now! and a bit
flawed, as it depends on assigned symop numbering , Is it
ISYM/2 is the symmetry number used to generate the unique hkl from the
original. If ISYM is odd then it is the symop. If even then the symop is
negated. Thus ISYM = 1 = h,k,l. ISYM = 2 = -h,-k,-l
Symmetry number is order of operators
There is some code in C in the CCP4 library and in C++ in eg
Hello Phil,
the order of reflections, or the order of operators? How would I reproduce
"Orig." H K L, as VIEWHKL appears to do?
Thank you.
Wolfram
On Fri, Jun 23, 2017 at 1:50 AM, Phil wrote:
> Yes. With the caveat that ISYM refers to the symmetry operators in the
>
Yes. With the caveat that ISYM refers to the symmetry operators in the order
they are stored in the MTZ file
Phil
Sent from my iPhone
> On 22 Jun 2017, at 17:04, wtempel wrote:
>
> Hello all,
>
> Are the following statements regarding AIMLESS unmerged mtz output accurate?
I believe so!
Eleanor
On 22 June 2017 at 17:04, wtempel wrote:
> Hello all,
>
> Are the following statements regarding AIMLESS unmerged mtz output
> accurate?
> - the H, K, L, M/ISYM columns are sufficient to recover the "original" H K
> L indices.
> - a combination of