Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8a460c79d8e87e5542accdca9731dfc1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 83.126,
"b": 120.193,
"c": 148.305,
"alpha": 90.00,
"beta": 92.99,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.05,1.30],
"number_observations_unique": 351281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 10.7
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [74.05,7.12],
"number_observations_unique": 2242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 33.3
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.32,1.30],
"number_observations_unique": 17449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.985
},
{
"type": "R(meas)",
"value": 1.316
},
{
"type": "R(pim)",
"value": 0.865
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.440
}
]
}
]
}