Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "157772d3ba9898d50ebe5dff519803fa",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 52.450,
"b": 38.276,
"c": 78.690,
"alpha": 90.000,
"beta": 103.794,
"gamma": 90.000
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.1,1.55],
"number_observations_unique": 125962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
"refln_shells": [
{
"resolution_limits": [1.61,1.55],
"number_observations_unique": 2093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.815
},
{
"type": "R(pim)",
"value": 0.501
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "CC(1/2)",
"value": 0.533
}
]
}
]
}