Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "330a5c98966e59215285af680c2bcb2c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.416,
"b": 67.750,
"c": 40.300,
"alpha": 90.00,
"beta": 93.49,
"gamma": 90.00
},
"wavelengths": [0.78380],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.23,1.15],
"number_observations": 517891,
"number_observations_unique": 74363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 11.7
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.17,1.15],
"number_observations": 21430,
"number_observations_unique": 3628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.953
},
{
"type": "R(meas)",
"value": 1.045
},
{
"type": "R(pim)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
}
]
}