Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d6221940012caac50c1cdca47c5d9b7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.136,
"b": 64.264,
"c": 68.121,
"alpha": 90.00,
"beta": 101.63,
"gamma": 90.00
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.29,1.54],
"number_observations_unique": 67977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.5
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.57,1.54],
"number_observations_unique": 2724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 78.5
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
}
]
}