📅 October 23rd – 26th, 2023

📍 ICIQ Auditorium, Avinguda Països Catalans, 16, 43007 Tarragona (Spain)

We are thrilled to announce the first Workshop on Electron Diffraction for Structure Resolution taking place at ICIQ in Tarragona on October 23-26, 2023.

This workshop will focus on the practical aspects of electron diffraction along with some underlying theory. The workshop will be open to beginners and experts alike but a background in X-ray crystallography can enhance the learning experience.

Workshop discussions will encompass:

• The roots of 3D-ED
• Sample Measurement and Preparation
• Types of samples suitable to be measured
• Software applications
• Kinematical and dynamical refinements
• Understanding of absolute structure and configuration
• Practical sessions on measurements and sample cryo-preparation

The event will feature insightful lectures from renowned professionals in electron diffraction. Attendees will also get the chance to familiarize themselves with an electron diffractometer, the Rigaku XtaLAB Synergy-ED.

For those interested in 3D-ED but lacking a crystallography background, hands-on sessions offer a gateway into the methodology and a firsthand experience with the Synergy-ED.

Note: Certificates will be awarded exclusively to participants attending the complete workshop.

Invited Tutors

Dr. Tatiana Gorelik (C.V.)

Dr. Paul Klar (C.V.)

Dr. Sergi Plana (C.V.)

Dr Horst Puschmann (C.V.)

Dr. Oleg Dolomanov (C.V.)

Program

Monday 23rd of October

13:00 – 14:00 Registration

14:00   Welcome

14:30 – 18:00:  Introduction into Electron Diffraction, origins of 3D-ED

14:30 – 15:15 Introduction into Electron Diffraction, Origins of 3D-ED (Tatiana Gorelik)

15:15 – 16:00 Visit of the laboratory

16:00 – 16:30 Coffee break

16:30 – 17:15 Measurement strategies (Sergi Plana)

17:15 – 18:00 Trouble shooting software/hardware (Workshop team)

Tuesday 24th of October

9:00 – 13:00: Measurement software, sample preparation and measurement strategy

9:00 – 9:45 Electron diffractometers for crystallographers (Paul Klar)

9:45 – 10:30 3D reciprocal space as seen by electrons (Tatiana Gorelik)

10:30 – 11:00 Coffee break

11:00 – 11:45 Sample preparation (Christian Schürmann, Jakub Wojciechowski)

11:45 – 12:15 Selecting samples and instrument settings (Christian Schürmann).

12:15 – 13:00 Non-standard measurement: beam sensitive, cryo-preparation (Christian Schürmann, Jakub Wojciechowski)

13:00 – 14:00 Lunch

14:00 – 17:30: Kinematical refinement and software.

14:00 – 14:45 Introduction to CrysalysPro and standard data processing (Mathias Meyer)

14:45 – 15:30 Data processing challenges / Merging data (Jordi Benet)

15:30 – 16:00 Coffee Break

16:00 – 17:30 Olex2 and NoSpherA2 (Horst Puschmannm & Oleg Dolomanov)

Wednesday 25th of October

9:00 – 13:00: Dynamical Refinement and Software, Absolute Structure Determination

9:00 – 9:30 Introduction to multiple scattering (Sergi Plana)

9:30 – 10:00 Introduction to dynamical refinement and absolute structure determination (applications) (Paul Klar)

10:00 – 10:30 Absolute structure determination at pharmaceutical compounds (Jordi Benet)

10:30 – 11:00 Coffee break

11:00 – 13:00 Demonstration + tutorial: Structure determination using Jana2020 (Paul Klar)

13:00 – 14:00 Lunch

14:00 – 17:30: Measurements hands on and data processing (Workshop team)

Three groups:   Sample preparation

Measurement

Software

15:30 – 16:00 Coffee Break

Three groups:   Sample preparation

Measurement

Software

18:30 – 20:30: Tarragona City Tour

21:00: Workshop Dinner

Thursday 26th of October

9:00 – 13:00: Hands on cryo-preparation and low temperature (Workshop team)

Three groups:   Sample preparation

Measurement

Software

10:30 – 11:00 Coffee Break

12:15 – 13:00 Final discussion and closing (Workshop team)

Registration

Registration Fee: 150 €. Coffee breaks, lunches, city tour and dinner specified in the programme are included with the registration

Link to register: https://www.rigaku.com/events/iciq/

Travelling

By plane:

Ideal to travel here to Tarragona would be by plane to Barcelona and then by bus (1 hour drive) to Tarragona. You can take the bus directly at the airport or pre-book it online.

https://www.busplana.com/de

By train:

We have also a fast train (AVE) arriving to Tarragona (Station Camp de Tarragona).

Contact

Scientific contact: Jordi Benet-Buchholz (jbenet@iciq.cat)

Organization: Judit Martínez (jmartinez@iciq.es)

Organizing Committee

Local                                                                       Rigaku

Dr. Jordi Benet-Buchholz                                        Dr. Mathias Meyer

Dr. Eduardo Escudero-Adán                                   Dr. Jakub Wojciechowski

Dr. Marta Martínez-Belmonte                                 Dr. Christian Schürmann

Judit Martínez                                                        Fraser White

Sponsors: