Datasqueeze Software

Technical Details

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Why Datasqueeze?

Modern x-ray diffraction (XRD) is very often performed using two-dimensional, or "area" detectors--the solid state equivalent of film. Commonly used technologies include CCD detectors (usually with some kind of x-ray fluorescent screen), image plates, or wire detectors. These are generally supplied by the vendor with built-in software that collects the data and performs some kind of specialized analysis, such as protein crystallography or phase identification via powder diffraction.

The problem comes when the user tries to use the equipment for a purpose other than that envisioned by the manufacturer--for example, looking at small-angle x-ray scattering (SAXS) from protein solutions, or diffuse scattering from amorphous polymers, on a system intended for crystallography. The scientist then quickly encounters two related problems: the on-board software is not sufficiently flexible to perform the desired analysis, and the file format structure is so obscure that what started as a simple data analysis project turns into a lengthy exercise in interpreting binary data with custom compression.

This is where Datasqueeze comes in. This application allows you to read most of the XRD formats that are currently on the market (with more being added continuously), analyze the data, and export the results on both graphical and text formats that can be easily used by other applications.

General Description

Datasqueeze is a graphical interface for analyzing data from 2D x-ray detectors. The data are represented as a false color image, with substantial control over the colors displayed. Basic functions include changing the color scale of the false color image, calibrating the image (i.e., determining parameters such as the image center and the angular scale of the image), producing radial or azimuthal x-y plots of intensity, and saving analyzed data both as images or in formats suitable for input to other programs such as Matlab or Excel. The x-y data extracted from the 2D images can also be least-squares fits to a variety of functions.

Datasqueeze will run on multiple platforms, including Windows, Linux, and Macintosh OS X. This means that the scientist is not tied to the computer that produced the data, or to a central "analysis computer," but can carry the data off to his or her office to be examined at leisure.

Datasqueeze is particularly useful for the analysis of powder diffraction data, diffuse scattering from polymers or liquid crystals, or small-angle scattering ("SAXS") from colloids, polymers, gels, or solutions.

What Datasqueeze will not do

Datasqueeze is not well suited for extracting intensities from many sharp Bragg peaks in a single-crystal diffraction type experiment (although it has been used to extract information about pixel statistics in such images). Datasqueeze is unsuitable for the analysis of data produced on curved detectors. It may read in the data from such detectors, but the conversion to scattering angle will be unreliable. Finally, Datasqueeze is unsuitable for the analysis of radiographic or tomographic images obtained from the transmission of x-rays through a patient or sample.

System Requirements

To install and run Datasqueeze you need the following:

Supported Data File Formats

New data formats are being added continuously (contact us if there is a new format you would like to see added). Currently supported formats include the following:

Capabilities

The following is a summary of some of the capabiliites of Datasqueeze. For more detailed information, feel free the refer to the manual which also is distributed with the application.

Last updated August 9, 2017

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