Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a463245654420536a981c5e9aeb08bc",
"space_group_name": "F 41 3 2",
"unit_cell": {
"a": 268.21,
"b": 268.21,
"c": 268.21,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.410,2.200],
"number_observations": 6242648,
"number_observations_unique": 42420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(meas)",
"value": 0.394
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 147.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 544171,
"number_observations_unique": 3608,
"quality_factors": [
{
"type": "R(merge)",
"value": 18.658
},
{
"type": "R(meas)",
"value": 18.721
},
{
"type": "R(pim)",
"value": 1.516
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 150.800
},
{
"type": "CC(1/2)",
"value": 0.465
}
]
},
{
"resolution_limits": [47.410,9.070],
"number_observations": 80149,
"number_observations_unique": 733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 107.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 109.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}