Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "acec77516e4323747cbb1d7b563da630",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 78.850,
"b": 78.850,
"c": 84.827,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.040,1.830],
"number_observations": 179497,
"number_observations_unique": 27349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.830],
"number_observations": 12663,
"number_observations_unique": 1992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.835
},
{
"type": "R(meas)",
"value": 0.908
},
{
"type": "R(pim)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.718
}
]
},
{
"resolution_limits": [36.040,8.180],
"number_observations": 2123,
"number_observations_unique": 363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}