Data Quality Workshop with application examples and what we can learn from error analysis

Program Day 1 (12th of March 2025)

Basic concepts and principles of data quality evaluation. Mathematical background. New metrics and their applications; The need to evaluate evaluation processes as well, rewarding errors with practical examples, established misconceptions, metrics as an environment for survival of the fittest data sets, adaptions and evolution processes in data quality evaluation. Challenges for overall progress in the field. Influence of metrics on decision making in crystallographic experiments.

There will be a follow workshop:

Program Day 2 (19th of March 2025)

Some new and established metrics in greater detail: mean value of weighted residuals, agreement factor gap for small molecules, errors caused by SHELXL-like weighting scheme, software dependent errors.

On both days at at 14:00 CET.