Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2052d36dbb41ee4a9c682f00ba927bb7",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 42.718,
"b": 42.718,
"c": 401.905,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.990,2.300],
"number_observations": 111123,
"number_observations_unique": 10935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.300],
"number_observations": 10780,
"number_observations_unique": 1109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.932
},
{
"type": "R(meas)",
"value": 0.985
},
{
"type": "R(pim)",
"value": 0.313
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [36.990,8.610],
"number_observations": 2076,
"number_observations_unique": 302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}