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Claudio Bantaloukas edited this page Dec 8, 2021
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- Introduction
- General Features of the Windows Interface
- Data Collection and Data Treatment
- Preliminary Inspection of Profile
- General Hints on Selecting, Fitting and Measuring Peaks
- Indexing
- Space Group Determination
- Pawley Fitting
- Building and Constraining Molecules
- Structure Solution
- Running DASH in Grid Mode or Batch Mode
- Rigid-body Rietveld refinement
- Preparation of Single Crystal Data
- Programs for Indexing and Cell Reduction
- Programs for Building 3D Molecules
- Definitions of DASH Figures of Merit
- Frequency of Occurrence of Space Groups
- Extinction Symbols and their Space Groups
- Using the Cambridge Structural Database
- Z-matrix format
- References
- Tutorial 1: Step-by-Step Structure Solution of Hydrochlorothiazide
- Tutorial 2: Solving a Structure from a Low Resolution Data Set
- Tutorial 3: Handling cis/trans Isomerism
- Tutorial 4: Handling a Structure in Which There is a Space Group Ambiguity
- Tutorial 5: Dealing with Two Molecules in the Asymmetric Unit
- Tutorial 6: Solving the Structure of an Inorganic Compound