Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e76377e1b71e769122d2a3e636fefcaa",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 57.465,
"b": 57.465,
"c": 173.564,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.553,1.700],
"number_observations": 208507,
"number_observations_unique": 16547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 10900,
"number_observations_unique": 837,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.018
},
{
"type": "R(pim)",
"value": 0.577
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.509
}
]
},
{
"resolution_limits": [40.770,9.000],
"number_observations": 1487,
"number_observations_unique": 151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 35.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}