MLZ Workshop: Automation in Diffraction

14 Mar 2024, 09:00 → 15 Mar 2024, 16:10 Europe/Berlin

Institute for Advanced Study (IAS), TU München

Anatoliy Senyshyn

Level of automation in lab and large-scale facility experiments display enourmous increase in recent decades, where progress in diffraction studies of various kind is very remarkable. Relevance for automation in diffraction is driven by a multitude of reasons, ranging from improving efficiency in data collection and analysis, mail in and remote experiments to enabling more advanced and complex studies.

In order to adress them, we organise one day „noon-to-noon“ Workshop „Automation in Diffraction“ taking place in Garching b. München on March, 14-15, 2024. The goal is to gather diffraction specialists and to discuss the challenges and solution strategies towards automation in diffraction experiments with respect to increase of instrumental throughput, enhancement of rapid and remote access as well as mail in services in diffraction applications.

Thursday 14 March

Registration

12:00 Lunch

1 Introduction

Speaker: Juergen Neuhaus

2 Organisational details

Speaker: Anatoliy Senyshyn

3 High-Precision Visual Servoing for the Neutron Diffractometer STRESS-SPEC at FRM II

Speaker: Michael Hofmann

4 Automation at Macromolecular Crystallography - The High-Throughput Beamline P11 at PETRA III

Speaker: Helena Taberman (DESY)

5 Automation in instrument control with NICOS

Speaker: Jens Krueger

6 Synchrotron Powder Diffraction in High Throughput

Speaker: Bernd Hinrichsen (Chemovator)

14:30 Coffee break

7 Automation for kinetic studies

Speaker: Christina Hoffmann (ORNL)

8 Automated data processing and feedback pipeline at Swedish Materials Science beamline

Speaker: Zoltan Hegedues (DESY)

9 Powder Diffraction data processing at the European Spallation Source

Speaker: Celine Durniak (European Spallation Source ERIC)

10 A high-throughput sample mounting, mail-in and metadata system for pair distribution function measurements

Speaker: Anna Herlihy (Diamond Light Source)

16:20 Coffee break

11 Reliability and High-Throughput: Applying Automation to Mass Produced as well as Tailormade Diffractometers

Speaker: Michael Wharmby (P02.1, PETRA III, DESY)

12 In the beginning: Envisioning mail-in diffraction at 11-BM

Speaker: Dr Brian Toby (APS)

19:00 Dinner

Friday 15 March

13 Adaptive Data Acquisition at the Hot Single Crystal Diffractometer HEiDi

Speaker: Dr Martin Meven (RWTH Aachen University, Institute of Crystallography - Outstation at MLZ)

14 Automation at the MX beamlines of BESSY II

Speaker: Tom Crosskey

15 EWOKS: a Meta Workflow System

Speaker: Wout De Nolf (ESRF)

2024_03_mlz_workshop_wdn.pdf

16 Flexible and fast analysis during in situ experiments

Speaker: Mads Ry Jørgensen (Dept. of Chemistry & iNANO, Aarhus University / MAX IV Laboratory, Lund University)

10:20 Coffee break

17 BL08W and BL04B2 beamlines at SPring-8

Speaker: Jochi Tseng

18 Automated sample change systems for thermal neutron powder diffractometers at the FRMII

Speaker: Christoph Hauf

19 Joint discussion and wrap up

Speaker: Anatoliy Senyshyn

12:10 Lunch

20 FRMII Guided Tour

for interested participanst - valid ID and preliminary registration is needed