Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d0c888b94655eff9ad609def341de9e",
"space_group_name": "P 1",
"unit_cell": {
"a": 55.729,
"b": 64.282,
"c": 67.324,
"alpha": 103.53,
"beta": 104.66,
"gamma": 99.40
},
"wavelengths": [1.28310],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.910,2.850],
"number_observations": 71758,
"number_observations_unique": 19440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.850],
"number_observations": 10864,
"number_observations_unique": 2871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.655
},
{
"type": "R(meas)",
"value": 0.764
},
{
"type": "R(pim)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [47.910,9.010],
"number_observations": 2168,
"number_observations_unique": 600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 31.700
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}