Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62418362278fe5eeda2c4d37e93ee41a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 82.06,
"b": 158.94,
"c": 163.21,
"alpha": 90.00,
"beta": 96.03,
"gamma": 90.00
},
"wavelengths": [1.12720],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.460,1.870],
"number_observations_unique": 336013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.870],
"number_observations_unique": 23294,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.066
},
{
"type": "R(pim)",
"value": 0.668
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.52
}
]
},
{
"resolution_limits": [45.460,8.360],
"number_observations_unique": 3888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 19.0
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}