Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "145d19983b2fd7a0e9b711bb056f658e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 87.80,
"b": 141.48,
"c": 80.30,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.540,1.950],
"number_observations": 217252,
"number_observations_unique": 36686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 15998,
"number_observations_unique": 2671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.833
},
{
"type": "R(pim)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.650
}
]
},
{
"resolution_limits": [27.540,8.720],
"number_observations": 2532,
"number_observations_unique": 458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 40.000
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}