Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a6f2e9727fb4d1c394498b562172f0cd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.023,
"b": 53.541,
"c": 44.156,
"alpha": 90.00,
"beta": 100.81,
"gamma": 90.00
},
"wavelengths": [0.91261],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.99,1.27],
"number_observations": 168524,
"number_observations_unique": 64349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 93.5
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.29,1.27],
"number_observations": 2417,
"number_observations_unique": 1844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.807
},
{
"type": "R(meas)",
"value": 1.114
},
{
"type": "R(pim)",
"value": 0.764
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Redundancy",
"value": 1.3
},
{
"type": "CC(1/2)",
"value": 0.387
}
]
}
]
}