Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9de005f19318f6653837d105d1a88402",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.337,
"b": 56.410,
"c": 102.013,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.120,2.680],
"number_observations": 56686,
"number_observations_unique": 9215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.750,2.680],
"number_observations": 3104,
"number_observations_unique": 606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.344
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [29.120,11.970],
"number_observations": 719,
"number_observations_unique": 129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 56.300
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}