Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e586036e6330adf87d88ab5db36e6ae",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 80.686,
"b": 80.686,
"c": 170.004,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.00,1.698],
"number_observations": 2098044,
"number_observations_unique": 36742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.03305
},
{
"type": "I/SigI",
"value": 20.3
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 11.7
},
{
"type": "CC(1/2)",
"value": 0.010
}
]
},
"refln_shells": [
{
"resolution_limits": [1.73,1.69],
"number_observations": 6547,
"number_observations_unique": 2023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.000
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 11.0
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [32.860,7.120],
"number_observations": 21097,
"number_observations_unique": 616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 34.200
}
]
}
]
}