Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "858727960c8bd7d7b28e141bad8b6be8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.163,
"b": 55.692,
"c": 82.718,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.200,0.960],
"number_observations": 2313853,
"number_observations_unique": 123986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 18.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [0.980,0.960],
"number_observations": 34008,
"number_observations_unique": 5517,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.627
},
{
"type": "R(meas)",
"value": 1.776
},
{
"type": "R(pim)",
"value": 0.685
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.374
}
]
},
{
"resolution_limits": [46.200,5.260],
"number_observations": 18059,
"number_observations_unique": 895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 69.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}