Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b9b5a43e3b9df08382b008b103b7560",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 40.25,
"b": 101.76,
"c": 75.10,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.77120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.120,1.900],
"number_observations_unique": 12177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 24.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 17430,
"number_observations_unique": 739,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.392
},
{
"type": "R(meas)",
"value": 1.421
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 23.600
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [42.120,9.110],
"number_observations": 3247,
"number_observations_unique": 142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 44.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 22.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}