Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4e4afb969033ef04568fe6a9abb7faa",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.124,
"b": 53.041,
"c": 44.382,
"alpha": 90.0,
"beta": 102.9,
"gamma": 90.0
},
"wavelengths": [0.91263],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.140,1.580],
"number_observations": 112236,
"number_observations_unique": 35161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 5034,
"number_observations_unique": 1747,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.490
},
{
"type": "R(meas)",
"value": 1.836
},
{
"type": "R(pim)",
"value": 1.060
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.269
}
]
},
{
"resolution_limits": [55.140,8.650],
"number_observations": 792,
"number_observations_unique": 234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 84.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}