Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b412ba0fd9c09697ed8d31f825aa9b94",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.764,
"b": 56.876,
"c": 114.753,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.870,1.430],
"number_observations": 400046,
"number_observations_unique": 63420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.430],
"number_observations": 25471,
"number_observations_unique": 4629,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.322
},
{
"type": "R(meas)",
"value": 1.462
},
{
"type": "R(pim)",
"value": 0.615
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.543
}
]
},
{
"resolution_limits": [56.870,6.400],
"number_observations": 4941,
"number_observations_unique": 820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 50.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}