Dear All, when I plot bulk solvent B and K extracted from EDS, an improbable and bimodal distribution appears. In the B_sol vs k_sol PDF a sharp line of values with B-sol of 70 appears (B-axis left to right, 0-200).
http://www.ruppweb.org/images/b_sol_contour.jpg http://www.ruppweb.org/images/b_sol_surface.jpg According to a quick peak at EDS instructions, it uses the REFMAC flat bulk solvent model throughout for bulk solvent correction. The main peak in fact has the expected distribution, but it seems that the sharp peak at B_sol=70 represents some cut-off that in a certain set of calculations was used. For data mining it would be useful to know where/when these cutoffs were used. Best regards, BR ----------------------------------------------------------------- Bernhard Rupp http://www.ruppweb.org/ -----------------------------------------------------------------
