Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1a05caa49a9f8aefdbc653da3f5b824b",
"space_group_name": "P 1",
"unit_cell": {
"a": 46.41,
"b": 61.77,
"c": 71.68,
"alpha": 111.33,
"beta": 91.19,
"gamma": 91.77
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.360,1.760],
"number_observations": 261890,
"number_observations_unique": 71639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.760],
"number_observations": 14947,
"number_observations_unique": 4047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.905
},
{
"type": "R(meas)",
"value": 1.063
},
{
"type": "R(pim)",
"value": 0.552
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
},
{
"resolution_limits": [46.360,8.970],
"number_observations": 2025,
"number_observations_unique": 544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}