Function reference
-
kgauss() - Constant normalizing wrapped gaussian
-
sfobs() - Generation of structure factors with errors
-
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 synthesis
-
load_anomalous_data() - Load anomalous data for a specific chemical element
-
load_data() - Load observed structure factors from 1D structure data in workspace.
-
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
-
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.