Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da6ef935422789c036340f69f5635f99",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 217.248,
"b": 217.248,
"c": 320.856,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.040,2.050],
"number_observations": 2047696,
"number_observations_unique": 275353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.050],
"number_observations": 98709,
"number_observations_unique": 13452,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.045
},
{
"type": "R(pim)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [61.040,11.230],
"number_observations": 12423,
"number_observations_unique": 1864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 42.600
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}