Re: [ccp4bb] XDS not picking spots correctly, please help!

2013-07-05 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Fei, are you familiar with the small molecules section at the XDS wiki at http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Small_molecules ? If you see many warning messages during the INTEGRATE step of unstable refinement, the too sma

Re: [ccp4bb] XDS not picking spots correctly, please help!

2013-07-04 Thread Fulvio Saccoccia
Dear Fei, in addition, take a look here: https://www.researchgate.net/profile/Fulvio_Saccoccia/contributions/?ev=prf_act and download my tutorial on XDS if you want. Bye Il 04/07/2013 18:26, Fei Li ha scritto: Dear all, I recently collected some 10 degree wedges of data on a very sm

Re: [ccp4bb] XDS not picking spots correctly, please help!

2013-07-04 Thread Bosch, Juergen
Hi Fei, I assume you have edited the XDS.INP file to include the initially found space group and the first refined cell ? If not, then that would be my first choice to do. If that then still fails with the default parameters, then I would start fixing some values instead of refining all of them

[ccp4bb] XDS not picking spots correctly, please help!

2013-07-04 Thread Fei Li
Dear all, I recently collected some 10 degree wedges of data on a very small membrane protein. The data processing so far is not working well. XDS is the only software that process my data and give a space group and cell parameters. However, I ended up with a merged dataset with low compl