Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e364a2ffb1aa97095c32b8e3b3fe80e3",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.25,
"b": 59.78,
"c": 80.09,
"alpha": 79.42,
"beta": 81.68,
"gamma": 75.64
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.870,1.650],
"number_observations": 178103,
"number_observations_unique": 100263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations": 11806,
"number_observations_unique": 7347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.582
},
{
"type": "R(meas)",
"value": 0.824
},
{
"type": "R(pim)",
"value": 0.582
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
},
{
"resolution_limits": [31.870,7.380],
"number_observations": 2135,
"number_observations_unique": 1138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 27.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}