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Re: Laboratory coordinate system
- To: "Herbert J. Bernstein" <yayahjb@gmail.com>
- Subject: Re: Laboratory coordinate system
- From: James Hester via coreDMG <coredmg@iucr.org>
- Date: Wed, 24 Feb 2021 16:39:06 +1100
- Cc: James Hester <jamesrhester@gmail.com>, Distribution list of the IUCr COMCIFS Core Dictionary Maintenance Group<coredmg@iucr.org>
- In-Reply-To: <CABcsX27JrK3dzLmYpSGQvseU38WoE=mpLh2AmKM3qUCAPK5bnA@mail.gmail.com>
- References: <CAM+dB2db4ZMx7hmSL43wgFFRcBAzA+beiSLePrZEiXHsX7GKLQ@mail.gmail.com><CABcsX27JrK3dzLmYpSGQvseU38WoE=mpLh2AmKM3qUCAPK5bnA@mail.gmail.com>
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@gmail.com> wrote:
I would suggest either being consistent with imgCIF, if possible. -- HerbertOn Tue, Feb 23, 2021 at 8:59 PM James Hester via coreDMG <coredmg@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.
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T +61 (02) 9717 9907
F +61 (02) 9717 3145
M +61 (04) 0249 4148
F +61 (02) 9717 3145
M +61 (04) 0249 4148
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- Laboratory coordinate system (James Hester via coreDMG)
- Re: Laboratory coordinate system (Herbert J. Bernstein via coreDMG)
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