[Nexus] unit_cell in NXsample
Pete Jemian
prjemian at gmail.com
Wed Sep 17 18:57:10 BST 2014
Let's propose Herb's suggestion at the NIAC meeting.
For now either we leave as-is or adopt the suggestion from Tobias to
have two attributes for units, as he stated it.
On 9/17/2014 12:45 PM, Herbert J. Bernstein wrote:
> The most common convention for a unit cell is a,b,c in angstroms
> alpha, beta, gamma in degrees in that order. However there are
> lots of other conventions. There would be less chance of confusion
> and error with their own units. Both direct and reciprocal cells are
> important. I would suggest long, but unambiguous, names:
>
> cell_length_a, cell_length_b, cell_length_c,
> cell_angle_alpha, cell_angle_beta, cell_angle_gamma,
> recip_cell_length_a_star, recip_cell_length_b_star, recip_cell_length_c_star,
> recip_cell_angle_alpha_star, recip_cell_angle_beta_star,
> recip_cell_angle_gamma_star
>
> The space group is also important. For clarity on the above, see
> IUCr International Tables Volume A (or better, the old Volume I)
>
> On Wed, Sep 17, 2014 at 1:28 PM, Andy Gotz <andy.gotz at esrf.fr> wrote:
>> On 17/09/2014 19:16, Pete R. Jemian wrote:
>>>
>>> No good answer for now.
>>
>>
>> A bit worrying for a fundamental parameter like unit cell isn't it ?
>>
>> Andy
>>
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