Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "06c6f00853c6da1ca1e8aec672519c53",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.993,
"b": 74.257,
"c": 76.707,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.320,1.759],
"number_observations_unique": 24537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.760],
"number_observations": 16286,
"number_observations_unique": 1331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.716
},
{
"type": "R(meas)",
"value": 0.747
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [28.320,8.970],
"number_observations": 2291,
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 33.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}