Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5399d3856bfa0db804bd72289cb6b6b8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.33,
"b": 79.64,
"c": 57.74,
"alpha": 90.00,
"beta": 116.22,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.420,1.540],
"number_observations": 244577,
"number_observations_unique": 67308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.540],
"number_observations": 17745,
"number_observations_unique": 4962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.582
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
},
{
"resolution_limits": [43.420,6.890],
"number_observations": 2958,
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 35.900
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}