6 Materialchemie
Filtern
Dokumenttyp
- Vortrag (45)
Sprache
- Englisch (45)
Referierte Publikation
- nein (45)
Schlagworte
- X-ray scattering (22)
- MOUSE (14)
- Methodology (8)
- Small angle scattering (8)
- SAXS (7)
- Lab automation (6)
- Software (6)
- Automation (5)
- Small-angle scattering (5)
- Data stewardship (4)
Organisationseinheit der BAM
- 6 Materialchemie (45)
- 6.5 Synthese und Streuverfahren nanostrukturierter Materialien (44)
- 1 Analytische Chemie; Referenzmaterialien (1)
- 1.9 Chemische und optische Sensorik (1)
- 6.0 Abteilungsleitung und andere (1)
- 6.6 Physik und chemische Analytik der Polymere (1)
- VP Vizepräsident (1)
- VP.1 eScience (1)
Eingeladener Vortrag
- nein (45) (entfernen)
This talk for the Swiss Society for Crystallography (SSCr) workshop on SAXS will introduce scattering from various angles, focusing in particular on:
- Information content of X-ray scattering experiments, three entry points…
- An introduction to Fourier Transforms
- Sample criteria, compatibility, and selection
- Key indicators of a measurement – where is the information?
- Key indicators of measurement quality
- Experiment planning, the basics
The second talk for the Swiss Society for Crystallography (SSCr) workshop on SAXS will highlight the data processing challenges, holistic experimental workflow developments, and the pitfalls. In particular, the following items will be addressed:
- The importance of data processing and estimating uncertainty
- A universal correction pipeline – away with the headaches, at least for this step!
- Experiment planning part 2, some tips and advice to improve your corrected data.
- Sample preparation, background selection, some tips and advice to improve your corrected data.
- Automate for your mental well-being; electronic logbooks, measurement catalogs and workflow management software
- Life on the edge: several pitfalls to avoid…
McSAS3 is a refactored software package for fitting large batches of (X-ray or Neutron) scattering data. It uses a Monte-Carlo acceptance-rejection algorithm to optimize model parameters - ideal for analysis of size-disperse scatterers.
The refactored code can exploit multiprocessing, traceably stores (multiple) results in the output file, and allows for re-histogramming of previous optimizations. Besides analysis of large batches, it can also be integrated in automated data processing pipelines.
The live demonstration will show how to use the software, what its limitations are, and what outcomes can look like for batches of results.
By automatically recording as much information as possible in automated laboratory setups, reproducibility and traceability of experiments are vastly improved. This presentation shows what such an approach means for the quality of experiments in an X-ray scattering laboratory and an automated synthesis set-up.
This presentation highlights ongoing scientific misconduct as found in academic literature. This includes data- and image manipulation, and paper mills. Starting with an expose of examples, it delves deeper into the causes and metrics driving this phenomenon. Finally a range of possible tools is presented, that the young researcher can use to prevent themselves from sliding into the dark scientific methods.