Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a20c680cc1a75a08bbf5b1af3641b5a",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 55.102,
"b": 55.102,
"c": 95.759,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.720,2.150],
"number_observations": 20099,
"number_observations_unique": 9183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 1569,
"number_observations_unique": 721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.804
},
{
"type": "R(meas)",
"value": 1.043
},
{
"type": "R(pim)",
"value": 0.658
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.365
}
]
},
{
"resolution_limits": [47.720,9.110],
"number_observations": 245,
"number_observations_unique": 142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}