Man pages for crone
Structural Crystallography in 1d
| anomalous_data | Theoretical scattering factors for all atomic species |
| atom_gauss | Gaussian atom |
| atoms | Atom names and atomic number |
| choose_a | Suggests unit cell side, a, based on atom content |
| diffraction | Simulation of 1D diffraction pattern |
| erf | Error function for real values |
| expand_to_cell | Expand content of asymmetric unit to whole unit cell |
| fluorescent_scan | Find optimal wavelength for anomalous phasing |
| fousynth | From structure factors to density using Fourier synthesis |
| heaviside | Heaviside function (step function) |
| invfousynth | From density to structure factors using inverse Fourier... |
| kgauss | Constant normalizing wrapped gaussian |
| load_anomalous_data | Load anomalous data for a specific chemical element |
| load_data | Load observed structure factors from 1D structure data in... |
| load_structure | Load 1D structure data in workspace. |
| local_maxima | Find local maxima in a vector of real values. |
| plot_absorption_curves | Plot of absorption curves |
| read_h | Read data from a reflections file |
| read_x | Read unit cell content (atom and coordinates). |
| reduce_to_asu | Reduce content of unit cell to asymmetric unit. |
| scafac | Scattering factor for 1D gaussian atoms |
| sfobs | Generation of structure factors with errors |
| standardise_fdata | Standardise reflections data |
| standardise_sdata | Organise atom data in a standard format for later use |
| structure_gauss | Structure of gaussian atoms |
| strufac | Calculation of structure factors |
| write_h | Write structure factors to a reflections file |
| write_x | Write atomic coordinates to a file. |
