Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0eeafb4fce29f3a5c9c5a7f887bf77e3",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 85.830,
"b": 85.830,
"c": 104.593,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.590,2.2660],
"number_observations_unique": 21092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.270],
"number_observations": 40606,
"number_observations_unique": 3057,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.332
},
{
"type": "R(meas)",
"value": 1.385
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.746
}
]
},
{
"resolution_limits": [60.590,7.170],
"number_observations": 8612,
"number_observations_unique": 751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 55.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}