Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e8679e74e76cd08273408f257baccbd2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.72,
"b": 56.97,
"c": 115.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.880,1.610],
"number_observations": 291166,
"number_observations_unique": 44910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.610],
"number_observations": 21655,
"number_observations_unique": 3261,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.603
},
{
"type": "R(meas)",
"value": 1.740
},
{
"type": "R(pim)",
"value": 0.671
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.477
}
]
},
{
"resolution_limits": [31.880,7.200],
"number_observations": 3572,
"number_observations_unique": 588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 46.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}