Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d00d9f5f2140e2ba0d80e28487350a89",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 38.483,
"b": 39.574,
"c": 64.933,
"alpha": 90.000,
"beta": 100.532,
"gamma": 90.000
},
"wavelengths": [0.99700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.57,1.52],
"number_observations_unique": 29688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.55,1.52],
"number_observations_unique": 1345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "R(meas)",
"value": 0.546
},
{
"type": "R(pim)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 92.20
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
}
]
}