Re: [ccp4bb] MAD data process problem

2012-05-30 Thread Jrh
Dear Qixu Cai, The following paper should be informative for your query:- http://dx.doi.org/10.1107/S0909049595013288 Best wishes, John Prof John R Helliwell DSc On 29 May 2012, at 10:11, Qixu Cai wrote: > Dear all, > > Sorry for the question from MAD beginner. > > When we process the MAD

Re: [ccp4bb] MAD data process problem

2012-05-29 Thread Laurent Maveyraud
Hi, you are right, the peak dataset corresponds to the highest f'' value. However, this does not mean that f'' is null for the other wavelengthes... you still have significant anomalous signal at the edge and for the high energy remote wavelength... this will help your phasing, so use it !

Re: [ccp4bb] MAD data process problem

2012-05-29 Thread Qixu Cai
Thank you very much for your reply. In my own understanding, We collect the peak dataset, because of the large F'', and we can get strong anomalous signal. We collect the edge dataset, because of the large F', and combined with the remote dataset, we can use the method just like SIR to get some

Re: [ccp4bb] MAD data process problem

2012-05-29 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Qixu Cai, MAD phasing is based on the comparison of Bijvoet-pairs, i.e. I(hkl) with I(-h-k-l), both within one data set and between data sets. Therefore you might get better results if your integration program does not assume Friedel-pairs to hav

Re: [ccp4bb] MAD data process problem

2012-05-29 Thread Laurent Maveyraud
Hi, when processing MAD data, all wavelength should be processed without enforcing the Friedel's law... If you look at your fluorescence spectrum, you will see that you have anomalous signal for the peak (obviously) for the high energy remote and even forh the inflexion point. For example, i

[ccp4bb] MAD data process problem

2012-05-29 Thread Qixu Cai
Dear all, Sorry for the question from MAD beginner. When we process the MAD datasets, including the peak-data, edge-data and remote-data, which datasets need to be process with anomalous? I know peak-data obviously need data processing with anomalous, but what about edge-data and remote-data