Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "46bed5a0e08d84b570e40b323194fa87",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 187.789,
"b": 187.789,
"c": 158.411,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [93.890,2.2290],
"number_observations_unique": 52150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.230],
"number_observations": 17420,
"number_observations_unique": 4480,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.344
},
{
"type": "R(meas)",
"value": 1.557
},
{
"type": "R(pim)",
"value": 0.775
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.295
}
]
},
{
"resolution_limits": [93.890,9.190],
"number_observations": 3544,
"number_observations_unique": 801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 49.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}