Curriculum Vitae,
ReseachGate,
Google Scholar,
ORC-ID (print),
Scopus,
Mendeley,
Pure,
Linkedin.
address: Institute of Inorganic Chemistry, Graz University of Technology,
Stremayrgasse 9/5, A-8010 Graz,
Austria
phone:
+43(0)316-873-32145.
e-mail:
manfred.kriechbaum@tugraz.at
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Useful links |
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Simulations and Animations in Small-Angle-Scattering
Use mirror site instead if graphics/plots don't work: https://sas.neocities.org. There are also more (and updated) SAS-online tools.
- I(q)-calculator
for various geometrical, homogeneous shapes. JavaScript
- p(r)-calculator
for spheres, discs and rods (homogeneous). JavaScript
- I(q)-calculator for concentric shell models: for spheres, discs, rods
and for ellipsoids, cylinders. JavaScript
- p(r)-calculator
for concentric shell models. JavaScript
- I(q)-p(r)-Debye-calculator for models composed of up to 20 or
up to 40 spheres. JavaScript. (Example) .
- I(q)-p(r)-Debye-calculator for fractal models: Sphereflake, box fractal
and Menger Sponge. JavaScript
- I(q)-calculator
for various lattices (1D-lam, 2D-hex, 3D-cubic). JavaScript
- Electron density calculator for 1D-lamellar lattices. JavaScript
- Electron density calculator for 2D-square lattices. JavaScript
- Electron density calculator for 2D-hexagonal lattices. JavaScript
- Rg-calculator for homogeneous models (ellipsoid, cylinder, cone, torus,....) JavaScript
- Rg-calculator for Polygonal Prisms, Pyramids, Cylinders, Cones, Ellipsoids Paraboloids and Tori JavaScript
- Rg-calculator for Platonic Solids and Polyhedra JavaScript (Examples),
(IUCr-2014 Abstract),
(IUCr-2014 Poster)
- Rg-calculator for objects composed of different shapes JavaScript
- Rg-calculator for simple concentric shell models
JavaScript
- Rg-calculator for complex concentric shell models
JavaScript
- Simulation of a scattering curve from a cylindrical model
Example
- Permitted hkl reflections for the 17 cubic aspects
- Shape reconstruction of S1 by simulated annealing (animation by D.Svergun using
DAMMIN)
- Conformational changes of Calmodulin: Scattering curve I(q) and p(r)-function (simulations)
- Specific inner surface area (Si) calculated from SAXS-curves by means of Porod's constant k and Invariant Q (simulation)
- Horizontal beam profile calculation for slit-height desmearing JavaScript
- Porod exponent in slit-height/detector-width smeared curves JavaScript
with graphics ,
SAS-2012 Poster
- Angular scale conversions (q, 2*theta) in Small-Angle Scattering JavaScript
- NCNR tools (contrast, SLD, simulations of formfactors and reflectivity)
- Shape2SAS Web application to simulate small-angle scattering data from user-defined shapes (by A.H.Larsen)
- BayesAPP: Calculates p(r) online from a SAS dataset by a Bayesian IFT algorithm (by S.Hansen, A.H.Larsen and M.C.Pedersen)
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Workshops/Symposia/Courses/Schools
- Everything BioSAXS 10, Dec. 2024, virtual
- LINXS - Institute of Advanced Neutron and X-Ray Science
- GISAXS 2022 workshop, Nov. 2022, DESY, Hamburg, Germany
- Solution Scattering from Biological Macromolecules, EMBL, Hamburg, Germany, 2018
- Solution Scattering from Biological Macromolecules, EMBL, Hamburg, Germany, May/June 2020, online lecture course
- Solution Scattering from Biological Macromolecules, EMBL, Hamburg, Germany, Nov/Dec 2023, virtual and on-site
- Solution Scattering from Biological Macromolecules, EMBL, Hamburg, Germany, Oct/Nov 2025, virtual and on-site
- Hamburg SAXS Symposium, EMBL, Hamburg, Germany, 2019
- EMBO Practical Course: SANS and SAXS from biomacromolecules in solution, Grenoble, 2019
- EMBO Practical Course: SANS and SAXS from biomacromolecules in solution, Grenoble, 2022
- EMBO Practical Course: SANS and SAXS from biomacromolecules in solution, Grenoble, 2024
- EMBO Global Exchange Lecture Course: Structural and biophysical methods for biological macromolecules in solution, Santiago, Chile, 2019
- FASEM for Life Science (Advanced School), Lund, Sweden, March 2024
- Bombannes, European Summer School on Scattering Methods Applied to SCM, Gironde, France, June 2024
- HERCULES European School, Grenoble, France
- NXS: National School on Neutron and X-Ray Scattering, Argonne and Oak Ridge, USA
- Cheiron School 2015, SPring-8, Japan
- SAXS on Nanosystems (20 years Austrian SAXS-beamline). Trieste, Italy, Oct. 2016
- SAXS excites & XRD excites. International SAXS and XRD Symposium Graz, Austria, Apr. 2026
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Universities and Research Institutes
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Organisations, Agencies, Institutions, Societies and Unions
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Synchrotron and Neutron Sources
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Software for SAXS and SANS
- Overview of SAS-Software (from SAS Portal)
- Overview of SAXS-, SANS-, GISAXS-Software (from www.gisaxs.com)
- SANS Data Reduction and Analysis at NIST
- SAS data evaluation and analysis programs at EMBL-Hamburg
- Link collection at gisaxs.com of Software related to SAXS, GISAXS, Crystallography....
- SasView by SasView.org
- DALAI-GA program for solution scattering by P.Chacon
- DENSS (DENsity from Solution Scattering) by T.Grant
- SASSIE by NCNR
- ScAtter by R.Rambo
- SASfit by J.Kohlbrecher and I.Bressler
- McSAS by I.Bressler and B.Pauw
- saxsview
- BioXTAS RAW: Processing and analysis of SAXS data by J.B.Hopkins
- Model2SAS: Small-angle scattering data calculation from custom shapes by M.Lia and P.Yina
- X+ and D+ by U.Raviv
- FIT2D by A.Hammersley
- PyFAI, tool for fast azimuthal integration at ESRF
- pySAXS
- jscatter by R.Biehl
- SAXSutilities by M.Sztucki
- BornAgain Simulate and fit GISAXS-data (by MLZ Garching)
- IsGISAXS by R.Lazzari. Manual
- FitGISAXS by D.Babonneau
- Irena by J.Ilavsky
- GSAS-II by ANL
- Datasqueeze Software by P.Heiney
- FullProf Suite: Crystallographic tools for XRD
- Rex.Cell: Powder diffraction data indexing
- XRayView: a virtual X-ray crystallography laboratory by G.Phillips
- PTC-lab Phase Transformation Crystallography
- Mercury - Crystal Structure Visualisation (from CCDC)
- ReciPro: Open-source multipurpose crystallographic software by Y.Seto
- VESTA: 3D visualization program for structural models by K.Momma and F.Izumi
- Scientific Software (ESRF)
- CCP4 Webpage
- SITUS Package
- Gnuplot (graphics, plotting)
- ImageJ Image Processing and Analysis in Java
- Chimera and ChimeraX: Molecular Modeling Software (UCSF)
- Igor Pro: Technical graphing and data analysis software from WaveMetrics
- DAWN: Data Analysis WorkbeNch
- SciEnPlot Data plotting and analysis software for students, scientists and engineers
- Fityk Data processing and (nonlinear) curve fitting
- Plotly: Open Source Graphing Libraries (Python, R, JavaScript)
- ParaView: Data analysis and visualization application (open-source, multi-platform)
- myHDF5: online HDF5-file viewing service developed and maintained by ESRF
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