Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "01ee7710aea3edb7c5783977b2cc340d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 207.633,
"b": 112.468,
"c": 188.257,
"alpha": 90.00,
"beta": 91.98,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [103.754,1.807],
"number_observations": 1983333,
"number_observations_unique": 282506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 9.6
},
{
"type": "Completeness",
"value": 93.1
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.974,1.807],
"number_observations": 104765,
"number_observations_unique": 14126,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.727
},
{
"type": "R(pim)",
"value": 0.677
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 7.4
},
{
"type": "CC(1/2)",
"value": 0.301
}
]
},
{
"resolution_limits": [103.754,5.495],
"number_observations": 92811,
"number_observations_unique": 14124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 25.9
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}