Easy EDDEasy EDDHigh Throughput Synchrotron EDD ProgramHigh Throughput Synchrotron EDD Program

Taha SochiTaha Sochi

TEDDITEDDITomographic imaging technique which exploits Tomographic imaging technique which exploits synchrotron to gain diffraction information from synchrotron to gain diffraction information from volume elements within a bulk sample.volume elements within a bulk sample.Used to image the interiors of objects in terms Used to image the interiors of objects in terms of both density and compositional variations.of both density and compositional variations.

Each volume element Each volume element visited yields a visited yields a

diffraction patterndiffraction pattern

Software for TEDDISoftware for TEDDICurrently there is no customised software for Currently there is no customised software for TEDDI analysis. Instead, scripts are in use: TEDDI analysis. Instead, scripts are in use:

Read dataRead data

Beam & counting efficiency correctionsBeam & counting efficiency corrections

Visualisation stepVisualisation step

Export to Rietica/TopasExport to Rietica/Topas

Fitting in Rietica/TopasFitting in Rietica/Topas

Visualisation of final resultsVisualisation of final results

What is Easy EDDWhat is Easy EDDHigh throughput software to manage, process, High throughput software to manage, process, analyse and visualise synchrotron EDD data.analyse and visualise synchrotron EDD data.

Purpose: processing large quantities of data Purpose: processing large quantities of data with ease and comfort using limited time and with ease and comfort using limited time and computing resources.computing resources.

The data is stored in a 3D vector. The basic unit The data is stored in a 3D vector. The basic unit is a “Voxel” object in which all data relevant to is a “Voxel” object in which all data relevant to an individual cell are stored. an individual cell are stored.

What is Easy EDDWhat is Easy EDDCombines Graphic User Interface (GUI) Combines Graphic User Interface (GUI) technology (e.g. wizards, dialogs, tool tips, technology (e.g. wizards, dialogs, tool tips, colour coding, context menus, etc.) with colour coding, context menus, etc.) with standard scientific computing techniques.standard scientific computing techniques.

ResourcesResources

Qt toolkit and its extensions (Qwt and Qt toolkit and its extensions (Qwt and QwtPlot3D) for GUI design.QwtPlot3D) for GUI design.

Extensive library of scientific numerical recipes. Extensive library of scientific numerical recipes.

Large number of tailored algorithms, functions Large number of tailored algorithms, functions and techniques.and techniques.

Standard C++ library. Standard C++ library.

Possibility of using wxWidgets library for GUI Possibility of using wxWidgets library for GUI design. design.

Current State of Easy EDDCurrent State of Easy EDD

The data files are read and automatically The data files are read and automatically recognised (e.g. SRS, scalars or vectors). recognised (e.g. SRS, scalars or vectors). The data is then stored and mapped on a 2D The data is then stored and mapped on a 2D intensity-colour-coded grid. intensity-colour-coded grid.

The SRS 16.4 data file format is currently The SRS 16.4 data file format is currently supported and the code can be extended to supported and the code can be extended to support other data file formats such as support other data file formats such as Diamond and ESRF. Diamond and ESRF.

Graphing and refinement capabilities are Graphing and refinement capabilities are wholly or partially implemented.wholly or partially implemented.

Standard GUI window with menus, toolbars and Standard GUI window with menus, toolbars and so on. so on.

Main ComponentsMain Components

2D color-coded scalable tabs for voxel mapping 2D color-coded scalable tabs for voxel mapping with text and graphical tool-tips to show all with text and graphical tool-tips to show all essential file and voxel properties. essential file and voxel properties.

Main ComponentsMain Components

2D plotter to obtain a graph of intensity vs. 2D plotter to obtain a graph of intensity vs. channel number for any voxel by clicking on channel number for any voxel by clicking on its cell.its cell.

Main ComponentsMain Components

The plotter capabilities include:The plotter capabilities include:

Main ComponentsMain Components

Save image in several formats.Save image in several formats.

Creating, drawing, modifying and clearing Creating, drawing, modifying and clearing fitting basis functions (polynomials ≤ 6, fitting basis functions (polynomials ≤ 6, Gauss, Lorentz and pseudo-Voigt) by simple Gauss, Lorentz and pseudo-Voigt) by simple click or press and drag actions.click or press and drag actions.

Non-linear least squares curve fitting by Non-linear least squares curve fitting by Levenberg-Marquardt algorithm.Levenberg-Marquardt algorithm.

Spreadsheet form which interacts with the Spreadsheet form which interacts with the plotter to control the refinement process with plotter to control the refinement process with plotting and saving capabilities to facilitate plotting and saving capabilities to facilitate mass application of standard refinement mass application of standard refinement processes.processes.

Main ComponentsMain Components

Future DevelopmentFuture Development

Mapping data on a 3D grid (tab for each slice) Mapping data on a 3D grid (tab for each slice) according to the real spatial coordinates.according to the real spatial coordinates.

Incorporating more scientific functionality such Incorporating more scientific functionality such as corrections and final analysis. as corrections and final analysis.

Implementing other refinement techniques Implementing other refinement techniques such as Le Bail.such as Le Bail.

Validating the program by experimental work. Validating the program by experimental work.

3D visualisation. 3D visualisation.

First release November 2007 for internal use First release November 2007 for internal use and real-life test.and real-life test.

Finally…Finally…

Feed-back will be essential for improving the Feed-back will be essential for improving the program and preparing for the final release.program and preparing for the final release.

Thank you!Thank you!

Questions?Questions?

FeaturesFeaturesCross platform code to support users of Cross platform code to support users of different operating systems.different operating systems.

Widgets with memory.Widgets with memory.

FTP for remote file access and transport.FTP for remote file access and transport.