It used to be common to only include reflections for which I > x sigma(I) in refinement, with x often being 3. However, nowadays this is not considered good practise, as reflections with small Is are likely to have I < 3 sigma(I), but are also important for refinement.
In small molecule crystallography I think it is still common to have a sigma criterion. if, in this respect, you have used default settings in data reduction and refinement, you should select "none" or "n.a." in the deposition process. Mark J van Raaij Lab 20B Dpto de Estructura de Macromoleculas Centro Nacional de Biotecnologia - CSIC c/Darwin 3 E-28049 Madrid, Spain tel. (+34) 91 585 4616 http://www.cnb.csic.es/~mjvanraaij On 14 Nov 2013, at 12:06, Faisal Tarique wrote: > Dear all > > I request you to please explain the "Observed criterion sigma" value > required during pdb deposition. Does it depends on the methods of data > integration and scaling ? if yes then what are the values for the data > processed through scalepack2mtz (HKL2000) and scala (mosflm).. > > -- > Regards > > Faisal > School of Life Sciences > JNU
