Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5faa06f250f34f565c71e8dd9eab130d",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 70.72,
"b": 89.62,
"c": 97.91,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.110,2.250],
"number_observations": 186424,
"number_observations_unique": 14788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.250],
"number_observations": 9778,
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.839
},
{
"type": "R(meas)",
"value": 1.920
},
{
"type": "R(pim)",
"value": 0.547
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 73.700
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [66.110,10.060],
"number_observations": 1495,
"number_observations_unique": 194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 34.000
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}