Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b7c68ad40064e72294032058fc8cb08c",
"space_group_name": "P 1",
"unit_cell": {
"a": 41.355,
"b": 66.844,
"c": 130.203,
"alpha": 76.20,
"beta": 89.99,
"gamma": 90.00
},
"wavelengths": [0.99986],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.150,1.930],
"number_observations_unique": 93376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.930],
"number_observations_unique": 9095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "R(meas)",
"value": 0.706
},
{
"type": "R(pim)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [42.150,7.470],
"number_observations_unique": 1749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}