X-ray data manipulation utilities

convert, add, subtract, multiply or whatever

These short programs are convenient tools for manipulating and interconverting flat data files of type float, int, or short. I wrote them to "hack" X-ray images and electron density map files, but you might find more tricks for them to perform. Documentation is divided by program, with cross-referencing between them:

description of X-ray file formats: Brief description of how SMV, CBF and CCP4 map files work, and how you can manipulate them.
int2float: Convert 16-bit integers, such as SMV-formatted images into floating-point for overlay of or combination with X-ray data.
floatgen: Convert text data into floating-point for overlay of or combination with X-ray data.
float_add: Add, subtract, scale and offset raw floating-point flat files with arbitrary headers.
float_func: Perform any C function on one or two raw floating-point flat files with arbitrary headers.
nearBragg: First-principles simulation of total scattering, outputs floating-point flat files and SMV format images.
nanoBragg: Takes more shortcuts than nearBragg to simulate scattering from nanocrystals. Can also be used to generate single-particle diffraction patterns and SAXS.
nonBragg: Simulate centrosymmetric scattering (before polarization) from amorphous substances such as water or air, as well as SAXS from proteins.
noisify: Add any kind of noise to floating-point flat files and output SMV-formatted X-ray data.

Author:

James Holton <JMHolton@lbl.gov>