Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "06eaa870b86993c60600aa5abff43ff6",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.702,
"b": 112.163,
"c": 62.269,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.040,1.200],
"number_observations": 1064974,
"number_observations_unique": 89026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 22511,
"number_observations_unique": 4245,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.159
},
{
"type": "R(meas)",
"value": 1.288
},
{
"type": "R(pim)",
"value": 0.536
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.535
}
]
},
{
"resolution_limits": [66.040,6.460],
"number_observations": 8393,
"number_observations_unique": 655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 61.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}