Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c0801062a35ef5a7e6221b53e4372d90",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.670,
"b": 93.282,
"c": 167.687,
"alpha": 90.00,
"beta": 94.97,
"gamma": 90.00
},
"wavelengths": [1.12712],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.424,2.45],
"number_observations_unique": 44873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.492,2.45],
"number_observations_unique": 94,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.788
},
{
"type": "R(meas)",
"value": 1.074
},
{
"type": "R(pim)",
"value": 0.759
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 2.8
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.622
}
]
},
{
"resolution_limits": [45.424,6.643],
"number_observations_unique": 6950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 96.4
},
{
"type": "Redundancy",
"value": 2.1
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}