EMBL Hamburg Biological
Small Angle Scattering


SAS data manipulation and analysis tools

Command-line tools for 1D data manipulation and analysis that are used for automated high-throughput small-angle scattering data processing.

DATCMP Compares two or more data sets. Is used e.g. to check for radiation damage, to compare buffers.
DATAVER Averages two or more data sets. Is used to average buffers, to average multiple sample exposures.
DATOP Performs arithmetic operations. Is used to subtract buffer(s) from the sample, to scale against concentration.
DATADJUST Scale and shift one data set to match another.
DATCROP Crops the range of experimental data points.
DATREGRID Changes the grid of the given data.
DATMERGE Finds scaling factors and merges partially overlapping data.
DATCOMBINE Combines (regrid, adjust, merge) data files from different instruments and setups.
ALMERGE Automatically merges data collected from two different concentrations or extrapolates it to infinite dilution assuming moderate particle interactions.
DATRG Computes Rg and I(0) from a given data range using the Guinier approximation.
AUTORG Automatically computes Rg and I(0) using the Guinier approximation, estimates data quality, finds the beginning of the useful data range.
DATGNOM Estimates Dmax, computes the distance distribution function p(r) and the regularized scattering curve.
DATPOROD Computes Porod volume from the regularized scattering curve.
DATABSOLUTE Scales concentration normalized data to absolute scale using water as a standard.
DATABSMW Determines molecular weight from data on the absolute scale.
DATMW Determines molecular weight from data on a relative scale: Porod, volume of correlation, apparent volume (MoW), Bayesian inference etc.
DATCLASS Rapidly classifies particle shape, estimates molecular weight and Dmax.
SHANUM Defines useful data range (maximum angle that should be taken into account).

Related open source libraries

libsaxsdocument - library for reading and writing 1D SAS data files on GitHub.
sasCIFtools - tools for processing sasCIF files on GitHub.

  Last modified: September 9, 2022

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