Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d7ec3082a1d31fe42696d8e6a5cbe2e",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 128.820,
"b": 128.820,
"c": 75.999,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.410,1.660],
"number_observations_unique": 71997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.710],
"number_observations_unique": 3602,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.340
},
{
"type": "R(meas)",
"value": 1.442
},
{
"type": "R(pim)",
"value": 0.527
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 64.6
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.511
}
]
},
{
"resolution_limits": [64.410,4.859],
"number_observations_unique": 3597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 30.4
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}