-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Sorry for the misleading example for the maxima code: you have to create a matrix from a,b,c (X: matrix(a,b,c)) and left-multiply it with the matrix bb in order to make the coordinate transformation.
Best, Tim On 11/05/2013 03:58 PM, Tim Gruene wrote: > 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/ iD8DBQFSeQnEUxlJ7aRr7hoRAly0AKDaSKZG69m/voWIy8Cwd2sTILuHJgCfQAdo zukXtgxBdwhBZCqE3YXJayM= =Y7/D -----END PGP SIGNATURE-----
