Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fe3a8d8343a0a105e43a5c170a9ef06d",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 103.67,
"b": 137.96,
"c": 179.01,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.750,2.350],
"number_observations": 266192,
"number_observations_unique": 53483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.410,2.350],
"number_observations": 19666,
"number_observations_unique": 3902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.752
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [44.750,10.510],
"number_observations": 2633,
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 66.700
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}