Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4651e413053cd4428d6929e5f9ef5386",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 149.015,
"b": 83.410,
"c": 106.445,
"alpha": 90.00,
"beta": 108.16,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.42,2.553],
"number_observations_unique": 26268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 92.3
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [2.858,2.553],
"number_observations_unique": 1314,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.482
},
{
"type": "R(pim)",
"value": 0.579
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 62.1
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.588
}
]
}
]
}