Re: [ccp4bb] Anomalous atom or ligand?

2013-04-26 Thread Eleanor Dodson
Not sure I follow you completely.. You dont say what anom scatterer you expect, or what the wavelength is. 1) How did you find the anomalous peaks? If from an anomalous difference Fourier there will inevitably be noise. In practice when there are S to check this can be very helpful in deciding

Re: [ccp4bb] Anomalous atom or ligand?

2013-04-26 Thread Kavyashree Manjunath
Respected Mam, I used Cadmium at home source 1.54179Ang. For detecting the anomalous peaks CAD and FFT was used. It has Se also. So while refining the occupancies of Cd, Se, S and P are also refined. Thanking you Respectfully Kavya Not sure I follow you completely.. You dont say what anom

[ccp4bb] Anomalous atom or ligand?

2013-04-24 Thread Kavyashree Manjunath
Dear users, After detecting the anomalous peaks in a data, Is it necessary that there will be an anomalous atom in most of the peaks? In a particular case, a low ranking peak was assigned an anomalous atom because it was present in the native structure, while a peak with a rank higher than this