Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0026d48cb04d0a7a83629b80280cd9e5",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 102.11,
"b": 102.11,
"c": 61.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.200,3.100],
"number_observations": 73320,
"number_observations_unique": 6265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.100],
"number_observations": 12990,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.777
},
{
"type": "R(meas)",
"value": 0.812
},
{
"type": "R(pim)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [72.200,8.770],
"number_observations": 3180,
"number_observations_unique": 333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
}
]
}