TABLE IV.
Completeness of merged data on simulated datasets. Each simulated dataset is analyzed in Laue-DIALS and merged in Careless. Then careless.completeness is run on the merged data to obtain an overall completeness for the dataset. Crystal mosaicity, beam divergence, and beam spectral bandwidth are given for each simulated dataset. The first row is a reference condition, and the remaining datasets are designed such that they vary from the reference dataset by only one parameter. The BioCARS spectrum has a FWHM of approximately 5.5% and is asymmetric.56 The other spectra are Gaussians centered on 1.05 Å with the noted bandwidth.
| Mosaicity (°) | Divergence (°) | Bandwidth (FWHM %) | Completeness (%) |
|---|---|---|---|
| 0.1 | 0.1 | BioCARS | 98.5 |
| 0.05 | 0.1 | BioCARS | 99.1 |
| 0.25 | 0.1 | BioCARS | 98.3 |
| 0.5 | 0.1 | BioCARS | 83.1 |
| 0.1 | 0.0001 | BioCARS | 99.0 |
| 0.1 | 0.001 | BioCARS | 99.4 |
| 0.1 | 0.01 | BioCARS | 99.0 |
| 0.1 | 1 | BioCARS | 98.4 |
| 0.1 | 0.1 | 0.5 | 66.8 |
| 0.1 | 0.1 | 1 | 81.6 |
| 0.1 | 0.1 | 2.2 | 96.3 |
| 0.1 | 0.1 | 5 | 98.2 |