Re: [ccp4bb] !SPAM: [ccp4bb] P622 xds index process with large unit cell

2017-02-06 Thread Tim Gruene
Dear Peter, if this is indeed your entire XDS.INP, you asked XDS to refine all parameters except the axis during the integration step. This may have led to a drifting away from the input parameters. Try e.g. REFINE(INTEGRATE)=CELL ORIENTATION BEAM to fix the detector distance during integratio

[ccp4bb] P622 xds index process with large unit cell

2017-02-06 Thread peter66 wright
Dear All, I got a data set from Diamond recently with space group of P622 and cell parameters: 87 87 629; 90 90 120. I can process the data using mosflm at home, However, XDS could not do with error saying " !!! ERROR !!! CANNOT INTERPRETE LATTICE BY THE GIVEN UNIT CELL". Can anyone advice me how