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基本説明
The authors consider that X-ray crystallography is a universal tool for studying molecular structure, a view upheld by the pioneers in the subject, notably W. H. and W. L. Bragg, et al. The appendices contain mostly mathematical procedures.
Full Description
I was highly flattered when I was asked by Mark Ladd and Rex Palmer if I would write the Foreword to this Fourth Edition of their book. "Ladd & Palmer" is such a well-known and classic book on the subject of crystal structure determination, one of the standards in the field: I did feel daunted by the prospect, and wondered if I could do justice to it. The determination of crystal structures by X-ray crystallography has come a long way since the 1912 discoveries of von Laue and the Braggs. In the intervening years great advances have been made, so that today it is almost taken for granted that crystal structures can be determined in which hundreds, if not thousands, of sepa rate atomic positions can be found with apparent ease. In the early years the struc tures of relatively simple materials, such as the alkali halides, were often argued over and even disputed, whereas today we routinely see published structures of most complex molecular crystals, including the structures of viruses and proteins.
Contents
1 Crystal Morphology and Crystal Symmetry.- 2 Lattices and Space-Group Theory.- 3 I X-rays, X-ray Diffraction, and Structure Factors II Intensities and Intensity Statistics.- 4 I Optical and X-ray Examination of Crystals II Measurement of Intensity Data from Single Crystals.- 5 Fourier Series and Fourier Transforms.- 6 Fourier Techniques in X-ray Structure Determination.- 7 Direct Methods and Refinement.- 8 Examples of Crystal Structure Determination.- 9 X-ray Structure Determination with Powders.- 10 Proteins and Macromolecular X-ray Analysis.- 11 Computer-Aided Crystallography.- Appendices.- Al Stereoviews and Crystal Models.- Al.l Stereoviews.- A1.2 Model of a Tetragonal Crystal.- A2 Analytical Geometry of Direction Cosines.- A2.1 Direction Cosines of a Line.- A2.2 Angle between Two Lines.- A3 Schönflies' Symmetry Notation.- A3.1 Alternating Axis of Symmetry.- A3.2 Notation.- A4 Rotation Matrices.- A5 Spherical Trigonometry.- A5.1 Spherical Triangle.- A5.2 Polar Triangle.- A6 Trigonometrical Formulae.- A7 Cartesian Coordinates.- A7.1 Cartesian to Crystallographic Transformation and its Inverse.- A9 Gamma Function.- A10 Crystallographic Software.- A10.1 Single Crystal Suites.- Platon/System S for UNIX.- SIR97 for MS-Windows and UNIX.- WinGX for Windows.- A 10.2 Single Crystal Structure Solution Programs CAOS (Crystal Analysis Operating System) for MS-Windows and UNIX.- CRYSTALS (11) for MS-Windows.- DIRDIF for PC/DOS and UNIX.- MULTAN Source Code.- PATSEE for PC/DOS and UNIX.- SHELXS86/SHELXS97/SHELXD.- SIR88/92/SIR97/SIR2001.- SnB (Shake "n" Bake).- A10.3 Single Crystal Twinning Software.- TWIN 3.0 for Windows.- TwinRotMac.- A10.4 Freestanding Structure Visualization Software.- ORTEP-III.- A 10.5 Powder Diffraction Data: Powder Indexing Suites (Dedicated andOther).- Checkcell for Windows.- CRYSFIRE for DOS.- DICVOL91.- FJZN.- IT013 source code and MS-Windows binary.- Kohl/TMO.- LOSH/LZON.- TAUP/Powder.- TREOR90 source code and MS-Windows binary.- A10.6 Powder Pattern Decomposition.- ALLHKL.- WPPF.- A 10.7 Structure Solution from Powder Diffraction Data.- ESPOIR source code, DOS, Windows, and Linux binaries.- EXPO source code, Windows, and UNIX binaries.- FOCUS.- FullProffor DOS, Windows, and Linux.- GSAS for Windows, Linux, and SGI IRIX.- Profil for VMS, DOS and UNIX.- Rietan GPL'D Fortran source code, Mac, UNIX, and Linux binaries.- SIRPOW.- XRS-82/DLS source code.- A10.8 Software for Macromolecular Crystallography.- Data Processing.- Fourier and Structure Factor Calculations.- Molecular Replacement.- Single and Multiple Isomorphous Replacement.- Software for Packing and Molecular Geometry.- Software for Graphics and Model Building.- Software for Molecular Graphics and Display.- SETOR.- Software for Refinement.- Software for Molecular Dynamics and Energy Minimization.- Data Bases.- Synchrotrons Web Page.- Tutorial Solutions.- Solutions 1.- Solutions 2.- Solutions 3.- Solutions 4.- Solutions 5.- Solutions 6.- Solutions?.- Solutions 8.- Solutions 9.- Solutions 10.
