Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c9b0862ad6ea25b9fad4a41da774df6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.43,
"b": 67.95,
"c": 40.25,
"alpha": 90.0,
"beta": 93.4,
"gamma": 90.0
},
"wavelengths": [0.96864],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.18,1.12],
"number_observations_unique": 79201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 24.5
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.15,1.12],
"number_observations_unique": 4709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 79.6
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
}
]
}