Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "245a5cd82653eb4307ad5dab427dc080",
"space_group_name": "P 41 3 2",
"unit_cell": {
"a": 168.04,
"b": 168.04,
"c": 168.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.610,2.600],
"number_observations": 514782,
"number_observations_unique": 25576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 63976,
"number_observations_unique": 3050,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.792
},
{
"type": "R(meas)",
"value": 1.836
},
{
"type": "R(pim)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.000
},
{
"type": "CC(1/2)",
"value": 0.588
}
]
},
{
"resolution_limits": [46.610,9.010],
"number_observations": 12045,
"number_observations_unique": 733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 44.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}