Laboratory coordinate system

James Hester jamesrhester at gmail.com
Wed Feb 24 05:39:06 GMT 2021


Yes it would be good to match imgCIF wouldn't it. Unfortunately the
widely-used Busing-Levy orientation is different to the imgCIF standard.
Could we define _diffrn_orient_matrix.laboratory_axis_system and allow
values 'Busing-Levy','McStas' and 'imgCIF' (or something similarly named)
to cover the most common variants?

On Wed, 24 Feb 2021 at 15:47, Herbert J. Bernstein <yayahjb at gmail.com>
wrote:

> I would suggest either being consistent with imgCIF, if possible. --
> Herbert
>
> On Tue, Feb 23, 2021 at 8:59 PM James Hester via coreDMG <coredmg at iucr.org>
> wrote:
>
>> Dear Core DMG,
>>
>> It has come to the attention of the High Pressure dictionary development
>> group that the laboratory coordinate system is never defined in core CIF.
>> There is `_diffrn_orient_matrix` for the UB matrix but there is no mention
>> of the coordinate system relative to which the resulting vector is referred.
>>
>> I would like to suggest that this group resolve this issue.
>>
>> I have too many CIF balls in the air at the moment to give this the
>> attention it deserves so I suggest that one or more of you might like to
>> "champion" this issue by essentially chairing the discussion and not
>> letting it drop off the back of the desk. I would still participate as time
>> allows. Any takers?
>>
>> thanks,
>> James.
>> --
>> T +61 (02) 9717 9907
>> F +61 (02) 9717 3145
>> M +61 (04) 0249 4148
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>

-- 
T +61 (02) 9717 9907
F +61 (02) 9717 3145
M +61 (04) 0249 4148
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