Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5b907b9ac4e2d05ce4cd50628a80fe6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.339,
"b": 53.481,
"c": 63.224,
"alpha": 90.000,
"beta": 109.746,
"gamma": 90.000
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.05,1.57],
"number_observations_unique": 35379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.16
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 88.5
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.60,1.57],
"number_observations_unique": 1983,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.693
},
{
"type": "R(meas)",
"value": 2.910
},
{
"type": "R(pim)",
"value": 1.093
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.32
}
]
}
]
}