[Nexus] unit_cell in NXsample
Herbert J. Bernstein
yayahjb at gmail.com
Wed Sep 17 18:45:58 BST 2014
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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