Re: [ccp4bb] Stuck rfree - possible non merohedral twinning ?

2013-08-26 Thread Mahesh Lingaraju
Hi Juergen other experts Thanks for the suggestions. I was under the impression that the twin laws/operators are to be used if the twinning is merohedral. In my case, it appears as if the twinning is non-merohedral and more over the data i have is processed as P422 which does not have twin

Re: [ccp4bb] Stuck rfree - possible non merohedral twinning ?

2013-08-26 Thread Alice Dawson
@JISCMAIL.AC.UKmailto:CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Stuck rfree - possible non merohedral twinning ? Hi Juergen other experts Thanks for the suggestions. I was under the impression that the twin laws/operators are to be used if the twinning is merohedral. In my case, it appears

Re: [ccp4bb] Stuck rfree - possible non merohedral twinning ?

2013-08-26 Thread Mark van Raaij
Dear Mahesh, from the images you showed a few days ago I am not convinced the issue is twinning, just overlaps due to the long c-axis. But of course, I do not have have as much info as you, just those images. Unless you are really convinced you have twinning, if you can see what you want to

Re: [ccp4bb] Stuck rfree - possible non merohedral twinning ?

2013-08-26 Thread Stefan Gajewski
Hi Mahesh, First of all, I risk going out on a limb here since I have no demonstrable experience concerning your topic. I was trying to solve a non-merohedral dataset for years, and I failed (like failure as defined in the dictionary). That is hardly a reference, but I got to read a little on

[ccp4bb] Stuck rfree - possible non merohedral twinning ?

2013-08-25 Thread Mahesh Lingaraju
Hello everyone, I collected a dataset which looked like it is twinned ( or a really long axis in the cell) and did not process in HKL2000 and MOSFLM but with some of help and suggestions from CCP4BB, XDS was able to process it. The data looks good upto 1.7 Å. However, the rfree is stuck at 0.34

Re: [ccp4bb] Stuck rfree - possible non merohedral twinning ?

2013-08-25 Thread Bosch, Juergen
Hi Mahesh, if you use Refmac, then you can tell it to refine the twin fraction, no need to tell it the twin law as Refmac will figure it out. If you use phenix, you explicitly tell it the twin law and refine then with it. You can get the possible twin laws by running phenix.xtriage and looking