Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f8483470ef57d9a38bfafb44b6b1816",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 122.078,
"b": 122.078,
"c": 122.078,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.595,2.65],
"number_observations_unique": 34129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 21.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.65],
"number_observations_unique": 2274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 21.4
},
{
"type": "CC(1/2)",
"value": 0.528
}
]
},
{
"resolution_limits": [2.720,2.65],
"number_observations_unique": 510,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.208
},
{
"type": "R(pim)",
"value": 0.487
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 21.5
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}