Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "28e985c29f37196ec4a6698f12969a9c",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 82.644,
"b": 82.644,
"c": 75.322,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37,1.4],
"number_observations_unique": 51578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11
},
{
"type": "R(meas)",
"value": 0.1141
},
{
"type": "R(pim)",
"value": 0.02982
},
{
"type": "I/SigI",
"value": 41.24
},
{
"type": "Completeness",
"value": 99.38
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.45,1.4],
"number_observations_unique": 4861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5742
},
{
"type": "R(meas)",
"value": 0.6426
},
{
"type": "R(pim)",
"value": 0.2727
},
{
"type": "I/SigI",
"value": 1.48
},
{
"type": "Completeness",
"value": 95.16
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [1.4,1.4],
"number_observations_unique": 508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}