Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3fa36197903c3e707a9297f772f1345d",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 174.345,
"b": 174.345,
"c": 72.096,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.170,2.280],
"number_observations": 170194,
"number_observations_unique": 18982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.400,2.280],
"number_observations": 25837,
"number_observations_unique": 2771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.955
},
{
"type": "R(meas)",
"value": 1.011
},
{
"type": "R(pim)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [87.170,7.210],
"number_observations": 5464,
"number_observations_unique": 649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 66.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}