IN THIS ISSUE Structure Determination from Powder Diffraction Data
نویسندگان
چکیده
CPD chairman’s message, Paolo Scardi 2 Editor’s message, Bill David 2 CPD projects: 3 Quantitative Phase Analysis RR, Ian Madsen Size-Strain RR, Davor Balzar WWW sites related to Powder Diffraction 3 IUCr Commission on Powder Diffraction 4 Structure determination from powder diffraction data Revisiting the 1998 SDPD Round Robin 7 A Le Bail and L M D Cranswick A 117-atom structure from powder diffraction data 9 L B McCusker, Ch Baerlocher and T Wessels Drug polymorphism and powder diffraction 12 P Sieger, R Dinnebier, K Shankland and W I F David Malaria, synchrotron radiation and Monte Carlo 14 P W Stephens, S Pagola, D S Bohle and A D Kosar A case of mistaken identity: metastable Me2SBr2 16 A N Fitch, G B M Vaughan and A J Mora Combined Rietveld and stereochemicalrestraint refinement with high resolution powder diffraction offers a new approach for obtaining protein-drug structures 17 R B Von Dreele On the reliablility of Rwp in structure prediction 19 L Smrcok and M Durík Ab-initio structure determination of oligopeptides from powder diffraction data 20 K D M Harris, R L Johnston, E Tedesco and G W Turner Correlating crystal structure with the physical properties of pharmaceutical compounds 22 N Shankland, W I F David, K Shankland, A Kennedy, C S Frampton and A Florence EXPO: New developments 23 A Altomare, C Giacovazzo, A G G Moliterni and R Rizzi News from ICDD and IXAS 26 Computer Corner, L M D Cranswick 28 What’s On 35 Companies 36 How to receive the CPD Newsletter 36 Calls for contributions to CPD newsletter 26 36 COMMISSION ON POWDER DIFFRACTION INTERNATIONAL UNION OF CRYSTALLOGRAPHY http://www.iucr.org/iucr-top/comm/cpd/
منابع مشابه
Applications of Evolutionary Computation in Structure Determination from Diffraction Data
Evolutionary algorithms are finding increasing use in the study of a wide range of different types of diffraction data. In this chapter, we review recent applications of evolutionary algorithms to study a variety of structural problems. Examples range from the study of disordered materials by analysis of diffuse scattering data to molecular replacement techniques in biological crystallography. ...
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