A program suite for one-dimensional small-angle scattering data processing running on IBM-compatible PCs under Windows 9x/NT/2000/XP is presented. The main program, PRIMUS, has a menu-driven graphical user interface calling computational modules to perform data manipulation and analysis. Experimental data in binary OTOKO format can be reduced by calling the program SAPOKO, which includes statistical analysis of time frames, averaging and scaling. Tools to generate the angular axis and detector response files from diffraction patterns of calibration samples, as well as binary to ASCII transformation programs, are available. Several types of ASCII files can be directly imported into PRIMUS, in particular, sasCIF or ILL-type files are read without modification. PRIMUS provides basic data manipulation functions (averaging, background subtraction, merging of data measured in different angular ranges, extrapolation to zero sample concentration, etc.) and computes invariants from Guinier and Porod plots. Several external modules coupled with PRIMUS via pop-up menus enable the user to evaluate the characteristic functions by indirect Fourier transformation, to perform peak analysis for partially ordered systems and to find shape approximations in terms of three-parametric geometrical bodies. For the analysis of mixtures, PRIMUS enables model-independent singular value decomposition or linear fitting if the scattering from the components is known. An interface is also provided to the general non-linear fitting program MIXTURE, which is designed for quantitative analysis of multicomponent systems represented by simple geometrical bodies, taking shape and size polydispersity as well as interparticle interference effects into account.

PRIMUS: a Windows PC-based system for small-angle scattering data analysis

https://www.embl-hamburg.de/biosaxs/reprints/dammin_1999.pdf

Restoring low resolution structure of biological macromolecules from solution scattering using simulated annealing.

https://www.embl-hamburg.de/biosaxs/reprints/gasbor_2001.pdf

Determination of domain structure of proteins from X-ray solution scattering.

http://www.embl-hamburg.de/biosaxs/reprints/globref2005.pdf

Global rigid body modeling of macromolecular complexes against small-angle scattering data

The program package ATSAS 2.1 for small-angle X-ray and neutron scattering data analysis is presented. The programs included in the package cover the major processing and interpretation steps from primary data reduction to three-dimensional modelling. This system is primarily oriented towards the analysis of biological macromolecules, but could also be used for non-biological isotropic and partially ordered objects (nanoparticle systems, colloidal solutions, polymers in solution and bulk). Recent developments in the programs included in ATSAS 2.1 are highlighted. The main programs run on multiple hardware platforms, including Windows PC, Linux RedHat and Suse, DEC Alpha, SGI IRIX and Mac OSX.

/pdf/atsas-2-1-a-program-package-for-small-angle-scattering-data-3ay4iiojze.pdf

ATSAS 2.1, a program package for small‐angle scattering data analysis

The hardware and software of the data appraisal, evaluation and display systems used for synchrotron radiation experiments at the EMBL Outstation on the storage ring DORIS are described. The system is based on CAMAC hardware and modular software and has been extensively used for a variety of applications in EXAFS and small angle scattering and diffraction.

Data appraisal, evaluation and display for synchrotron radiation experiments: Hardware and software

Digital systems for fast readout of linear and area position sensitive detectors based on commercially available CAMAC modules are described. The first version of the system has been used extensively for synchrotron radiation work carried out at the EMBL outstation in Hamburg during the last five years. A second system allowing measurements at count rates up to 600 kHz on a continuous source has been recently installed. An overview of the complete acquisition and information processing system is also given.

Data acquisition systems for linear and area X-ray detectors using delay line readout

A NIM module for delay line readout of linear gas proportional X-ray or neutron detectors based on time to space conversion is presented. Each of the 16 ASICs in the module contains a delay line with 64 elements each connected to a 24 bit-counter. Readout of the coincidence of signals travelling in opposite directions on the delay line and incrementation of the counters is triggered by the prompt anode signal so that simultaneous events are correctly processed. Transfer of the contents of the 1024 individual counters to a histogramming device at the end of a time frame can be as short as 60 μs. With continuous delay lines the total conversion time equals the transit time of the delay line in the detector, whereas with segmented delay lines the total conversion time is around 20 ns.

A data acquisition system for gas proportional detectors with delay line readout based on space-time-space conversion

A synchrotron radiation X-ray diffraction study of the crystallinity of tendon fibres

A project aiming at producing more efficient position sensitive gas proportional detectors and readout systems is presented. An area detector with reduced electrode spacing and a spatial resolution of 0.5 mm and two time to digital convertors (TDC) based on ASICs were produced. The first TDC, intended for use with linear detectors, relies on time to space conversion, whereas the second one, for area detectors, uses a ring oscillator with a phase locked loop. A parallel readout system for multi-anode detectors aiming at a maximum count rate extensively uses RISC microcontrollers. An electronic simulator of linear detectors built for test purposes and a mechanical chopper used for attenuation of the X-ray beam are also briefly described.

C. Boulin

Papers

Data appraisal, evaluation and display for synchrotron radiation experiments: Hardware and software

Data acquisition systems for linear and area X-ray detectors using delay line readout

A data acquisition system for gas proportional detectors with delay line readout based on space-time-space conversion

A synchrotron radiation X-ray diffraction study of the crystallinity of tendon fibres

The PASERO Project: parallel and serial readout systems for gas proportional synchrotron radiation X-ray detectors