Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d4a69b40696ef449ca81cb6c0da7ae8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.103,
"b": 53.586,
"c": 44.314,
"alpha": 90.00,
"beta": 100.87,
"gamma": 90.00
},
"wavelengths": [0.91261],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.74,1.48],
"number_observations": 131784,
"number_observations_unique": 43551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.50,1.48],
"number_observations": 4580,
"number_observations_unique": 2031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.949
},
{
"type": "R(meas)",
"value": 1.211
},
{
"type": "R(pim)",
"value": 0.741
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Redundancy",
"value": 2.3
},
{
"type": "CC(1/2)",
"value": 0.330
}
]
}
]
}