Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8e4de97d47a5c999cb8fad389eb57d67",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.796,
"b": 65.808,
"c": 84.507,
"alpha": 90.0,
"beta": 93.9,
"gamma": 90.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.360,1.590],
"number_observations": 343205,
"number_observations_unique": 100339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.590],
"number_observations": 45102,
"number_observations_unique": 14481,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.244
},
{
"type": "R(meas)",
"value": 1.500
},
{
"type": "R(pim)",
"value": 0.826
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.440
}
]
},
{
"resolution_limits": [59.360,5.040],
"number_observations": 11031,
"number_observations_unique": 3285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 28.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}