Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9bc63b6c8a064c3a461228ef59e1ca9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 40.850,
"b": 56.003,
"c": 52.113,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.080,1.160],
"number_observations": 87407,
"number_observations_unique": 20716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.180,1.160],
"number_observations": 3890,
"number_observations_unique": 979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.537
},
{
"type": "R(pim)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [19.080,6.350],
"number_observations": 593,
"number_observations_unique": 153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}