Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a9f3bb3d50010f276247a6a93d82d94",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 85.037,
"b": 85.037,
"c": 111.688,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.650,2.04],
"number_observations_unique": 15623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 34.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.050],
"number_observations": 20873,
"number_observations_unique": 1132,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.243
},
{
"type": "R(meas)",
"value": 1.278
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.400
},
{
"type": "CC(1/2)",
"value": 0.783
}
]
},
{
"resolution_limits": [73.650,9.170],
"number_observations": 5588,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 77.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 23.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}