Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79dfc20e9b75d4afc168ab06ef1d3495",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.74,
"b": 45.41,
"c": 83.31,
"alpha": 90.00,
"beta": 102.33,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.690,1.760],
"number_observations": 138796,
"number_observations_unique": 43724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.760],
"number_observations": 10941,
"number_observations_unique": 3295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.763
},
{
"type": "R(meas)",
"value": 0.920
},
{
"type": "R(pim)",
"value": 0.506
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.558
}
]
},
{
"resolution_limits": [40.690,7.870],
"number_observations": 1635,
"number_observations_unique": 520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 48.400
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}