Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "46a289205419cff649753201df7da933",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 158.469,
"b": 158.469,
"c": 266.194,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [89.030,2.605],
"number_observations_unique": 29930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.506
},
{
"type": "R(meas)",
"value": 0.522
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [2.750,2.610],
"number_observations": 79709,
"number_observations_unique": 5820,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.506
},
{
"type": "R(meas)",
"value": 1.564
},
{
"type": "R(pim)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.792
}
]
},
{
"resolution_limits": [89.030,8.240],
"number_observations": 24056,
"number_observations_unique": 1375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
}
]
}