Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0462abb63a3969ad0f8b005b455f9a9c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.595,
"b": 97.512,
"c": 58.226,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.110,2.010],
"number_observations": 96066,
"number_observations_unique": 15567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.010],
"number_observations": 4806,
"number_observations_unique": 960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.793
},
{
"type": "R(meas)",
"value": 0.876
},
{
"type": "R(pim)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 80.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [29.110,8.780],
"number_observations": 1335,
"number_observations_unique": 224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}