Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1af45f79a3aa8d0bff299480f3833f4d",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 45.595,
"b": 132.962,
"c": 42.292,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.98,2.000],
"number_observations": 44067,
"number_observations_unique": 16827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 3103,
"number_observations_unique": 1183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.700
},
{
"type": "R(meas)",
"value": 0.871
},
{
"type": "R(pim)",
"value": 0.506
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.623
}
]
},
{
"resolution_limits": [45.600,8.950],
"number_observations": 453,
"number_observations_unique": 181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 43.100
},
{
"type": "Completeness",
"value": 79.600
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}