Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "05c66f8ac4a8c5cdd38cda082b16fa4b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.849,
"b": 118.609,
"c": 93.516,
"alpha": 90.00,
"beta": 91.32,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.230,2.250],
"number_observations": 116068,
"number_observations_unique": 45938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.250],
"number_observations": 10338,
"number_observations_unique": 4261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "R(pim)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.669
}
]
},
{
"resolution_limits": [33.230,9.000],
"number_observations": 1762,
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 35.500
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}