Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b8aa538851155355a7bb74e55184476",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 82.251,
"b": 158.861,
"c": 162.100,
"alpha": 90.00,
"beta": 95.71,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.260,1.980],
"number_observations_unique": 254113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 7.60
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.980],
"number_observations_unique": 10940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.815
},
{
"type": "R(pim)",
"value": 0.455
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 77.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.615
}
]
},
{
"resolution_limits": [71.260,10.840],
"number_observations_unique": 1800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 19.3
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
}
]
}