Command-line tools for 1D data manipulation and analysis that are used for automated high-throughput small-angle scattering data processing.
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DATCMP
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Compares two or more data sets. Is used e.g. to check for radiation damage, to compare buffers.
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DATAVER
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Averages two or more data sets. Is used to average buffers, to average multiple sample exposures.
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DATOP
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Performs arithmetic operations. Is used to subtract buffer(s) from the sample, to scale against concentration.
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DATADJUST
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Scale and shift one data set to match another.
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DATCROP
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Crops the range of experimental data points.
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DATREGRID
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Changes the grid of the given data.
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DATMERGE
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Finds scaling factors and merges partially overlapping data.
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DATCOMBINE
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Combines (regrid, adjust, merge) data files from different instruments and setups.
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ALMERGE
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Automatically merges data collected from two different concentrations or extrapolates it to infinite dilution assuming moderate particle interactions.
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DATRG
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Computes Rg and I(0) from a given data range using the Guinier approximation.
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AUTORG
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Automatically computes Rg and I(0) using the Guinier approximation, estimates data quality, finds the beginning of the useful data range.
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DATGNOM
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Estimates Dmax, computes the distance distribution function p(r) and the regularized scattering curve.
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DATPOROD
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Computes Porod volume from the regularized scattering curve.
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DATABSOLUTE
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Scales concentration normalized data to absolute scale using water as a standard.
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DATABSMW
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Determines molecular weight from data on the absolute scale.
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DATMW
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Determines molecular weight from data on a relative scale: Porod, volume of correlation, apparent volume (MoW), Bayesian inference etc.
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DATCLASS
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Rapidly classifies particle shape, estimates molecular weight and Dmax.
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SHANUM
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Defines useful data range (maximum angle that should be taken into account).
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