Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eba3b43f9609929209cd71ce1605b782",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 91.719,
"b": 64.269,
"c": 73.103,
"alpha": 90.00,
"beta": 117.73,
"gamma": 90.00
},
"wavelengths": [0.91000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.9000,2.300],
"number_observations_unique": 16851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 8104,
"number_observations_unique": 1648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.430
},
{
"type": "R(pim)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [46.850,8.910],
"number_observations": 1450,
"number_observations_unique": 310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}