Always deprecated, hopefully never common!
On 14 Nov 2013, at 11:27, Mark J van Raaij <[email protected]> wrote: > 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
