It seems you cannot read either your data or a scratch mtz file - the
log file should tell you its name.
There is obviously something funny - see the discussion of free r reflections..
You dont say your pointgroup - presumably P/mmm or P3m or P6/mmm -
they have that twin law.
But with perfect twinning (both fractions 0.5) are you sure you dont
have a higher symmetry spacegroup?
Eleanor
On 10 September 2013 12:08, miyatake <[log in to unmask]> wrote:
> Dear all,
>
> I run a twin refinement using Refmac,
> but it was in failure saying the message below;
>
> Why did it happen?
>
> H. Miyatake
>
>
>
> -------------------------------------------------------------------------
>
> free R flag 0
> Number of "free" reflections 12993
> Number of all reflections 14430
> Warning ==> Number of free refletions is more than half all reflections
> Warning ==> Switching to free R flag = 1
> --------------------------------------------------------------------------------
>
> **** Filtering out small twin domains, step 1 ****
>
> Twin operators with Rmerge > 0.4400000 will be removed
>
> Symmetry operator K, H, -L : R_merge =0.068: twin or higher symmetry
>
> --------------------------------------------------------------------------------------------------------------
>
> **** Filtering out small twin domains, step 2 ****
>
> Twin domains with fraction < 7.0000000E-02 are removed
>
> **** Twin operators with estimated twin fractions ****
>
> Twin operator: H, K, L: Fraction = 0.500; Equivalent operators: K, -H, L; -H, -K, L; -K, H, L
> Twin operator: K, H, -L: Fraction = 0.500; Equivalent operators: H, -K, -L; -K, -H, -L; -H, K, -L
> --------------------------------------------------------------------------------------------------------------
>
> Error in LRREWD: mindx 1 not open for read!
> Error in LRREFL: mindx 1 not open for read!
> Error in LRREFM: mindx 1 not open for read!
> Error in LRREFL: mindx 1 not open for read!
> Error in LRREFM: mindx 1 not open for read!
> Error in LRREFL: mindx 1 not open for read!
> Error in LRREFM: mindx 1 not open for read!
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