Yes it should change in a new format to replace MTZ Sent from my iPhone
> On 24 Jun 2017, at 11:52, Eleanor Dodson <eleanor.dod...@york.ac.uk> 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') 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 time to chang?? > E > > > >> On 23 June 2017 at 22:18, Phil <p...@mrc-lmb.cam.ac.uk> wrote: >> 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 Aimless >> Phil >> >> >> Sent from my iPhone >> >>> On 23 Jun 2017, at 18:46, wtempel <wtem...@gmail.com> wrote: >>> >>> 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 <p...@mrc-lmb.cam.ac.uk> wrote: >>>> 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 <wtem...@gmail.com> 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 "original" H K L and the BATCH value is unique inside >>>> > the file. >>>> > >>>> > Thank you in advance. >>>> > Wolfram Tempel >>> >
