Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "51dc5fc8cdb4c5c50be84cec1a71425d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 80.10,
"b": 82.22,
"c": 222.01,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97890],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.0400,2.000],
"number_observations_unique": 98941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations": 33210,
"number_observations_unique": 4720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.803
},
{
"type": "R(meas)",
"value": 0.866
},
{
"type": "R(pim)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.766
}
]
},
{
"resolution_limits": [46.000,10.950],
"number_observations": 6228,
"number_observations_unique": 711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 30.000
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}