Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "db8d115f7e3446b3b4ffbb8a9cc5a8c7",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 122.450,
"b": 122.450,
"c": 313.159,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97886],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.300,2.750],
"number_observations": 856403,
"number_observations_unique": 62906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.820,2.750],
"number_observations": 58320,
"number_observations_unique": 4569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.639
},
{
"type": "R(pim)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [36.300,12.300],
"number_observations": 10889,
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}