Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8e9ae3d397b2e5be44b73fc2d50333a8",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 124.171,
"b": 124.171,
"c": 49.969,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.320,1.850],
"number_observations": 384657,
"number_observations_unique": 19899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 22129,
"number_observations_unique": 1197,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.505
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.763
}
]
},
{
"resolution_limits": [45.320,9.060],
"number_observations": 3510,
"number_observations_unique": 220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 46.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 16.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}