Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f1b9d197d9c70b5845f3bde1790861d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 136.311,
"b": 102.525,
"c": 68.035,
"alpha": 90.00,
"beta": 116.28,
"gamma": 90.00
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.00,2.60],
"number_observations_unique": 26039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 15.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
"refln_shells": [
{
"resolution_limits": [2.64,2.60],
"number_observations_unique": 1279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.757
},
{
"type": "R(meas)",
"value": 0.864
},
{
"type": "R(pim)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
}
]
}