Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "c8d5884de31ff39e86bd6b7336d31cca",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 52.259,
"b": 82.121,
"c": 91.386,
"alpha": 90.00,
"beta": 95.65,
"gamma": 90.00
},
"wavelengths": [1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.44,1.80],
"number_observations_unique": 35514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 17.35
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [1.87,1.80],
"number_observations_unique": 3563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.521
},
{
"type": "R(pim)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 1.69
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.703
}
]
}
]
}