Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "059bf3d837296694aebe68b36449a4de",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.233,
"b": 26.994,
"c": 55.757,
"alpha": 90.00,
"beta": 100.34,
"gamma": 90.00
},
"wavelengths": [0.91270],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.850,1.360],
"number_observations": 75720,
"number_observations_unique": 25842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.360],
"number_observations": 2584,
"number_observations_unique": 1236,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.215
},
{
"type": "R(meas)",
"value": 1.596
},
{
"type": "R(pim)",
"value": 1.024
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.254
}
]
},
{
"resolution_limits": [54.850,7.450],
"number_observations": 566,
"number_observations_unique": 185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}