PAN Blend data-reduction-frameworks packages

Fityk is a flexible and portable program for nonlinear fitting of analytical functions (especially peak-shaped) to data (usually experimental data). In other words, for nonlinear peak separation and analysis.

It was developed for analyzing diffraction patterns, but can be also used in other fields, since concepts and operations specific for crystallography are separated from the rest of the program.

Fityk offers various nonlinear fitting methods, subtracting background, calibrating data, easy placement of peaks and changing peak parameters, automation of common tasks with scripts, and much more. The main advantage of the program is flexibility - parameters of peaks can be arbitrarily bound to each other, eg. the width of a peak can be an independent variable, can be the same as the width of another peak or can be given by a complicated - common to all peaks - formula.

libjs-sphinxdoc is necessary for the Javascript stuff in the documentation.

Gnuplot je portabilný nástroj na interaktívne kreslenie dát a funkcií riadený z príkazového riadka, podporujúci mnoho výstupných formátov vrátane ovládačov mnohých tlačiarní, (La)TeX, (x)fig, Postscript atď. Výstup do X11 nájdete v balíku gnuplot-x11.

S dátovými súbormi a funkciami je možné pracovať pomocou jazyka podobného jazyku C. Dokáže vyhladzovať, prekladať krivkou, nelineárne prekladanie krivkou a pracovať s komplexnými číslami.

Tento balík slúži na inštaláciu plnohodnotného gnuplot (-qt, -x11 or -nox).

Dokáže zobrazovať, upravovať, analyzovať, spracúvať, ukladať a tlačiť 8- bitové, 16-bitové a 32-bitové obrázky. Číta mnohé obrazové formáty vrátane TIFF, GIF, JPEG, BMP, DICOM, FITS a „raw“. Podporuje „zásobníky“ - série obrázkov, ktoré sa nachádzajú v jednom okne.

Dokáže počítať plochy a štatistiky hodnôt pixlov používateľom vybraných oblastí. Dokáže merať vzdialenosti a uhly. Dokáže tvoriť histogramy hustoty a čiarové profilové kresby. Podporuje štandardné funkcie spracovania obrazu ako zmena kontrastu, zaostrovanie, vyhladzovanie, detekcia hrán a mediánové filtrovanie.

Priestorová kalibrácia poskytuje priestorové miery reálneho sveta ako milimetre. Tiež je dostupná kalibrácia hustoty a škály šedej.

ImageJ vyvíja Wayne Rasband (wayne@codon.nih.gov) na Research Services Branch, National Institute of Mental Health, Bethesda, Maryland, USA.

xylib is a C++ library for reading files that contain x-y data from powder diffraction, spectroscopy and other experimental methods.

This package contains a small program xyconv that converts files supported by the xylib library to TSV (tab-separated values).

Ngraph is the program to create scientific 2-dimensional graphs for researchers and engineers. This program can create advanced graphs which can't be created by spreadsheets. Graphs can be exported to postscript.

Octave is a (mostly MATLAB® compatible) high-level language, primarily intended for numerical computations. It provides a convenient command-line interface for solving linear and nonlinear problems numerically.

Octave can be dynamically extended with user-supplied C++ files.

PyMca is set of applications and Python libraries for analysis of X-ray fluorescence spectra.

The applications included in this package are:

• edfviewer - Display and inspection of data files in ESRF Data Format
• elementsinfo - Displays element specific X-ray data
• mca2edf - Converts files from SPEC MCA format to EDF
• peakidentifier - Displays X-ray fluorescence peaks in a given energy range
• pymcabatch - Batch fitting of spectra
• pymcapostbatch - Post-processing of batch fitting results
• pymca - Interactive data-analysis
• pymcaroitool - Region-of-interest (ROI) imaging tool

The PyMca toolkit can read data files in SPEC, ESRF data file (EDF), OMNIC, HDF5, AIFIRA and SupaVisio formats.

This are the scripts of the package.

Scilab je balík maticového vedeckého softvéru. Scilab obsahuje stovky zabudovaných matematických funkcií, bohaté údajové štruktúry (vrátane polynómov, racionálnych funkcií, lineárnych systémov, zoznamov atď.) a dodáva sa s množstvom konkrétnych sád nástrojov na riadenie, spracovanie signálov atď.

Tento balík poskytuje Xcos, grafický editor na návrh hybridných modelov dynamických systémov.Modely možno navrhovať, načítať, ukladať, kompilovať a simulovať. Xcos je stabilné a výkonné riešenie priemyselných a akademických potrieb, poskytujúce funkcie na modelovanie mechanických systémov (automobilový a letecký priemysel, ...), hydraulických okruhov (priehrady, modelovanie rúr, ...), riadiacich systémov atď. Tiež obsahuje možnosti Modelica.

Minimálnu verziu Scilabu môžete nainštalovať z balíka „scilab-cli“.

The silx project aims at providing a collection of Python packages to support the development of data assessment, reduction and analysis applications at synchrotron radiation facilities. It aims at providing reading/writing different file formats, data reduction routines and a set of Qt widgets to browse and visualize data.

The current version provides :

• reading HDF5 file format (with support of SPEC file format)
• histogramming
• fitting
• 1D and 2D visualization using multiple backends (matplotlib or OpenGL)
• image plot widget with a set of associated tools (See changelog file).
• Unified browser for HDF5, SPEC and image file formats supporting inspection and visualization of n-dimensional datasets.
• Unified viewer (silx view filename) for HDF5, SPEC and image file formats
• OpenGL-based widget to display 3D scalar field with isosurface and cutting plane.

This uses the Python 3 version of the package.

Spyder (previously known as Pydee) is a free open-source Python development environment providing MATLAB-like features in a simple and light-weighted software

This is a transitional package depending on the spyder package (which provides the application for Python 3). It can be removed after installation.

Maxima is a fully symbolic computation program. It is full featured doing symbolic manipulation of polynomials, matrices, rational functions, integration, Todd-coxeter methods for finite group analysis, graphing, multiple precision floating point computation. It has a symbolic source level debugger for maxima code. Maxima is based on the original Macsyma developed at MIT in the 1970s. It is quite reliable, and has good garbage collection, and no memory leaks. It comes with hundreds of self tests.

This package contains an X Windows interface using the tcl/tk libraries.

provides metadata and data access for scientific datasets, using OPeNDAP, OGC WMS and WCS, HTTP, and other remote data access protocols.

This R package provides functions that simulate the operation of a CCD area detector of the type commonly used in macromolecular X-ray crystallography. In addition to the simulation, functions allowing display, integration and statistical analysis of diffraction spot images are also included.

DISP was written to investigate possible improvements to error estimation for diffraction spot integration of data recorded on CCD detectors. That work was published in Waterman & Evans. Estimation of errors in diffraction data measured by CCD area detectors. Journal of Applied Crystallography 43(6), 2010.

NeXpy is designed to provide an intuitive interactive toolbox allowing users both to access existing NeXus files and to create new NeXus-conforming data structures without expert knowledge of the file format.