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SC-XRD Webinar Archive

Below you will find SC-XRD webinars that took place in 2010, 2011, 2012, 2013, 2014, and 2015.


Webinar Content
Dec 8, 2015

X-ray Crystallography - Step into a New Dimension: Modulation 101
In this complimentary 45-minute webinar, learn how to identify and handle a (3+1)D modulated structure using APEX 3 and refine the structure using Jana2006. In this session Dr. Danielle L. Gray will explain how to separate the main Bragg reflections from the satellite reflections in the reciprocal lattice viewer, how to find the q vector, and how to properly integrate and scale the data in HKL6 format. A walkthrough of Jana2006 will show how to pick the superspace group, solve the structure and refine the modulation waves. Learn tricks and tips about Jana2006 as you walk through the structure solution process. Find answers to questions like: How do I decide if my structure is commensurate or incommensurate, how many waves can and should I apply, and how do you decide if your structure model is accurate?
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Jun 3, 2015

X-ray Crystallography: No Evil Twins Here!
In this 45 minute live webinar, Bruce Noll and Michael Ruf will demonstrate how to handle twins using the APEX3 suite of software. This will be a hands-on session explaining how to spot twins, separate twin domains using the reciprocal lattice viewer and index using CELL_NOW. Bruce and Michael will share their tips on how to best integrate and scale data and walk you through structure solution and subsequent HKLF 5 refinement. There will be plenty of time for questions and answers.
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Webinar Content
Apr 23, 2015

Assessing Sample Quality for Modeling bioSAXS Experiments Using ScAtter
In this webinar, Rob Rambo will demonstrate with the JAVA program ScÅtter how to assess sample and data quality from experimental SAXS profiles available at the SAXS repository Poor background subtractions limits the effective resolution of the SAXS experiment and can provide mis-leading conclusions from a Kratky analysis. Using built-in features in ScÅtter, the resolution limit of a SAXS dataset can be confidently determined and likewise, quantitative measures of particle compactness can be readily derived. Furthermore, Rob Rambo will show how the implementation of a cross-validation procedure during the transform of the SAXS data to the P(r)-distribution can be used to assess data quality.
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March 26, 2015

Improved Performance with Microfocus Source Upgrades
In this webinar, Jürgen Graf and Lars Kuttnik from Incoatec will explain the basic principles of the technologies used in the IµS and highlight the benefits of this unique source with the emphasis on possible upgrade paths for older X-ray equipment. Selected examples from X-ray diffraction and scattering applications will be shown.
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Webinar Content
Dec 9, 2014

ShelXle goes APEX2!
In this 45-minute webinar, Christian Hübschle will introduce ShelXle, a graphical user interface (GUI) for small molecule structure refinement with SHELXL™. ShelXle combines an auto-completion, syntax highlighting editor with a graphical representation of the three dimensional structure. Michael Ruf will offer a sneak-peek preview of Bruker's adaptation of ShelXle in the APEX2 suite.
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Oct 7, 2014

X-ray Crystallography: It Doesn't Always have to be a Single Crystal
In this webinar Stacey Smith and Michael Ruf will demonstrate how a diffraction system optimized for single crystal work can be used to collect XRD data on a range of other samples. The presentation will cover simple transmission experiments on powdered materials enabling phase identification, low-temperature variability, and even quantitative analyses that may be otherwise inaccessible.
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Webinar Content
May 13, 2014

Using Biological Small Angle X-ray Scattering as a Structure Validation Tool
In this 45-minute webinar,Dr. Matt Benning and Dr. Michael Ruf will highlight the experimental and data analysis techniques used to obtain small angle X-ray scattering (SAXS) information and show some examples of its application towards structural analysis.
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Apr 07, 2014

Absolute Structure Determination for Light Atom Structures
This one-hour webinar will describe a number of statistical approaches to the analysis of crystal structures for which the Flack parameter is greater than 0.1. Dr. Simon Parsons, The University of Edinburgh, will discuss strategies for collecting X-ray diffraction data suitable for absolute structure determination.
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Jan 28, 2014

Fast, Intuitive Structure Determination V: Structure Refinement and Report Generation
Completing the Fast Intuitive Structure Determination webinar program, this fifth one-hour webinar in the series presents the Structure Refinement plug-in that uses SHELXL-2013 as implemented in APEX2. Presenters Dr. Michael Ruf and Dr. Bruce Noll also show you how to use the Report Generator plug-in to collect experimental details and present them in a CIF file or HTML report.
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Webinar Content
Dec 03, 2013

ANODE: Anomalous and Heavy-atom Density Calculation
As part of the SHELX software suite, AnoDe is a program that estimates anomalous or heavy-atom density by reversing the usual procedure for phase determination by SAD, MAD and SIRAS methods. In this 45-minute webinar, Dr. Andrea Thorn explains the new AnoDE program for macromolecular crystallography.
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Nov 25, 2013

Fast, Intuitive Structure Determination IV: Space Group Determination and Structure Solution
The Fast Intuitive Structure Determination webinar series continues with this one-hour webinar on space group determination and data analysis. Drs. Michael Ruf and Bruce Noll highlight XPREP software, as well as the Space Groups and Statistics plugin of APEX2. They also present the Solve Structure plugin, which is wrapper software over the structure solution engines of SHELXS.
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Nov 20, 2013

Fast, Intuitive Structure Determination III: Data Integration and Scaling
Following on to Fast Intuitive Structure Determination I and II, this third webinar in the series covers data integration and scaling. Join Dr. Michael Ruf and Dr. Bruce Noll as they highlight the software interfaces between APEX2 and SAINT, and between APEX2 and SADABS.
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Oct 08, 2013

PHOTON 100: Shutterless Data Acquisition with Continuous Scans
The shutterless mode in a PHOTON 100 detector allows data to be read out while the camera is exposed to X-rays, providing superior data quality in less time. Join Dr. Roger Durst and Dr. Michael Ruf in this one-hour webinar as they shed light on the technology behind shutterless data acquisition and present application examples.
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Sep 12, 2013

What's New in SHELXL-2013
In this 1-hour webinar, Dr. Andrea Thorn of MRC-LMB Cambridge and Dr. Bruce C. Noll of Bruker highlight new features in the SHELXL-2013 release. You will learn how SHELXL can be used for the refinement of molecular structures and see how SHELXL-2013 is implemented in APEX2. The presenters also offer practical guidelines for using the new features.
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Webinar Content
Jun 25, 2013

In-House Phasing Using the SHELX Suite
Dr. Andrea Thorn from the MRC Laboratory of Molecular Biology in Cambridge shows how the SHELX software suite can be used for experimental phasing of in-house data. She explains some of the theoretical concepts behind SHELXC/D/E, covers practical aspects and presents new features in the programs.
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May 14, 2013

In-House Sulfur SAD Phasing
Dr. Dimitri Chirgadze, University of Cambridge, leads you on a fascinating look into examples of successful structure determination by Sulfur SAD phasing. He highlights what strategies a researcher can implement to utilize this technique with an in-house copper radiation source. Results of a Thaumatin protein SAD phasing experiment with Bruker´s gallium METALJET source are also presented.
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Apr 02, 2013

Fast, Intuitive Structure Determination II: Crystal Indexing and Data Collection Strategies
Watch this one-hour webinar to learn skills for crystal indexing and data collection. Dr. Michael Ruf and Dr. Bruce Noll cover the APEX2 tools that can be used to select reflections and sort them into arrays to facilitate indexing routine, twin and modulated structures. They also examine the diffraction behavior of the sample to determine the best data collection parameters.
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Feb 26, 2013

Advanced Crystallography: Data Collection and Data Reduction Techniques for Modulated Structures

Drs. Michael Ruf and Charles Campana give a one-hour presentation demonstrating the steps required to collect and process data for modulated structures. Specific topics include: how to recognize modulated structures; introduction to q-vectors; APEX2 software tools; preparation of files for JANA2006; and examples of the solution of modulated structures from single-crystal diffraction data.
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Webinar Content
Nov 13, 2012

Advanced Crystallography: Refinement of Disordered Structures

Dr. Charles Campana gives a one-hour presentation demonstrating the steps required to refine disordered crystal structures. Along with specific examples, topics covered include SHELXL, SHELXTL, free variables, PART n and –n instructions, constraints vs restraints, and advanced refinement instructions.
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Oct 31, 2012

Fast, Intuitive Structure Determination I: Crystal Mounting

In this one-hour webinar given by Dr. Bruce Noll, learn how to identify crystal defects, examine crystal mounts, and perform crystal mounting. Attention to details like these is one of the most important steps to ensure successful diffraction pattern indexing, data integration and crystal structure refinement.
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Webinar Content
Aug 29, 2012

Ready for Take-Off – Crystallography in Undergraduate Education
Join Dr. Nigam Rath of University of Missouri and Dr. Roger Sommer of DePaul University in this one-hour webinar as they present their experiences with introducing undergraduate chemistry students to X-ray crystallography for 3-D structure determination.
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Jun 14, 2012

An Overview
of Biological SAXS:
Techniques and
Small Angle X-Ray Scattering (SAXS) can determine the size, shape and flexibility of biological molecules in solution. SAXS can also be combined with data from other techniques, such as X-ray crystallography, NMR and microcalorimetry. Prof. Dr. Peter Laggner describes the instrumentation, experimental techniques and exciting applications.
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May 08, 2012

Electron Densities
Using Invarioms
Focusing on the use of invarioms, tabulated non-spherical scattering factors available for a wide variety of chemical environments, Dr. Birger Dittrich of Georg-August-Universität Göttingen discusses how to get more information from conventional single-crystal X-ray diffraction structural analyses.
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Webinar Content
Dec 06, 2011

Dr. Francesca Fabbiani of Georg-August-Universität Göttingen takes you through the steps for performing a high-pressure single-crystal X-ray diffraction experiment with a diamond-anvil cell (DAC). You will learn DAC loading techniques and useful strategies for data collection, data reduction, and structure refinement.
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Webinar Content
Oct 13, 2011

Advanced Crystallography -- Publication of
Crystal Structures
Publication of crystal structures is often a researcher's least favorite task. This 90-min webinar will help. It describes the steps required to prepare crystal structures for publication in chemical and crystallographic journals, including collection of high-quality intensity data, common refinement problems, data evaluation, error analysis, preparation of CIF files, and the use of CIF-checking programs.
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Webinar Content
Oct 26, 2010

Growing and Mounting Single Crystals Your Diffractometer Will Treasure
Accurate 3D structures determined by X-ray diffraction require good quality crystals. This one-hour webinar focuses on the practical side of how to grow single crystals, evaluate their quality and mount them for X-ray crystallography experiments.
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Webinar Content
May 18, 2010

Exploring Protein
and Nucleic Acid
Structure with
Small Angle X-ray Scattering
SAXS provides information about the sizes and shapes of macromolecules which is complimentary to other methods, such as crystallography and NMR. Learn about SAXS theory, techniques, instruments for the home lab, and practical applications for studying biological systems.
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