Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d786f3cf10390f961f1a9e167c2d3e9a",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 114.20,
"b": 130.13,
"c": 178.03,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.990,2.040],
"number_observations": 269307,
"number_observations_unique": 79456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.040],
"number_observations": 11894,
"number_observations_unique": 4043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "R(pim)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [53.990,10.600],
"number_observations": 2241,
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}