-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1
Dear Almudena,
if I understand either documentation correctly, you have to multiply
the XDS orientation matrix (from XPARM.XDS) from the left with
[ 0 0 1 ]
[ - 1 0 0 ]
[ 0 - 1 0 ]
(the z-axis in XDS becomes the x-axis in saint; the x-axis in XDS
becomes y-axis in saint in opposite direction; the y-axis in XDS
becomes the z-axis in saint in opposite direction).
This provides you with a matrix
ax ay az
bx by bz
cx cy cz
i.e. row-wise the directions of a, b, and c in the saint coordinate
system.
- From a, b, and c you can calculate
V = a.(b^c) and
a*=(b ^ c)/V
b*=(c ^ a)/V
c*=(a ^ b)/V
The saint matrix has these values column wise, i.e. a matrix
a*_x b*_x c*_x
a*_y b*_y c*_y
a*_z b*_z c*_z
The maths are easily done with the program maxima, once you know the
syntax:
bb: matrix([ 0,0,1], [-1,0,0], [0,-1,0]);
a: [-2.372110 , 1.479120, -10.597644];
b: [-12.481461, 2.100587, 1.965943];
c: [ -2.525253, 17.465330, -0.015521];
V: a.(b ~ c);
astar: (b ~ c)/V; # etc.
Good luck,
Tim
On 11/05/2013 02:29 PM, Almudena Ponce Salvatierra wrote:
> Hi everyone,
>
> I would like to know how to change matrix format from the one I
> get out of XDS to the one that comes out of SAINTS. Or the other
> way around.
>
> My question is: is the beam along the same axis in both matrices?
> as well as the rotation axis and the third axis?
>
> How can I convert one into the other one?
>
> Thank you very much in advance.
>
> Best wishes,
>
> Almudena.
>
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
-----BEGIN PGP SIGNATURE-----
Version: GnuPG v1.4.12 (GNU/Linux)
Comment: Using GnuPG with Icedove - http://www.enigmail.net/
iD8DBQFSeQePUxlJ7aRr7hoRAurVAJ41QHZeFUZqWUexos+zyCNB/L6BlgCg7d8c
53iIruByCN8erxIEWFc+AT0=
=/L9B
-----END PGP SIGNATURE-----
