The calibration of the instrument is based on XRD patterns of standard materials. This is used to calibrate the CheMin instrument by identifying peak positions. Data are then transformed to Chebyshev space.
The ASTRA software package is available free of charge and is developed by Bruker AXS. It is used to analyze images and extract quantitative information about crystalline particle size and phase composition. The ASTRA software package is used for routine analysis of x-ray microscopy images of crystals.
The ASTRA software package is used to analyze image data from the GSAS package. The effective crystal size is determined by an automated algorithm and the crystal orientation by a novel statistical method. The phase composition is calculated by using a combined approach of peak-intensity analysis and a deconvolution procedure. The software also allows the calculation of the crystal volume and the space-group parameters.
The data are first pre-processed for noise reduction and background subtraction. The image statistics are then calculated. The image histogram is used to determine the range of crystallite sizes, and to identify the orientation and preferred orientation of the crystals in the sample. In addition, the ASTRA software package includes an advanced region-of-interest analysis tool for analysis of crystalline particle size and phase composition. The software allows a rapid extraction of accurate information about the crystal size and phase composition without the need of a preliminary knowledge of the structure and symmetry of the crystals.
In addition to the core applications, the instrument is also used for off-line analysis. This includes software for image analysis such as ASTRA, and for PCA and multivariate analysis. A GUI is also provided for students and instructors to get a first impression of the data.
The APLASR Package It is proprietary software of Bruker AXS and requires a license. This is used to check the instrument, apply an offset correction, and transform data from the CheMin instrument to Chebyshev space. Aperiodic correction is applied to a preprocessed dataset. The output is saved in the ASCD format.
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