Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5ba3c95e435f66a4637b086eeb036029",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 94.850,
"b": 94.850,
"c": 118.826,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.14,1.75],
"number_observations_unique": 20930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 31.1
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 10.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.78,1.75],
"number_observations": 9057,
"number_observations_unique": 1197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.6
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}