Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "979da7fba9f73903e00f19d0e5b6c8d7",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 67.201,
"b": 67.201,
"c": 60.814,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [2.00000,4.16000,1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [14.7,2.48],
"number_observations_unique": 5519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 95.5
},
{
"type": "Redundancy",
"value": 4.6
},
{
"type": "CC(1/2)",
"value": 0.95
}
]
},
"refln_shells": [
{
"resolution_limits": [2.57,2.48],
"number_observations_unique": 465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 80.6
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.295
}
]
},
{
"resolution_limits": [1.97,1.90],
"number_observations_unique": 1250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "R(pim)",
"value": 0.297
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.623
}
]
}
]
}