Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "49e3eee96c7af17287198ab5ef742e71",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 76.437,
"b": 155.275,
"c": 88.271,
"alpha": 90.00,
"beta": 110.33,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.440,2.200],
"number_observations": 340416,
"number_observations_unique": 96363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations": 12230,
"number_observations_unique": 4315,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.235
},
{
"type": "R(meas)",
"value": 1.514
},
{
"type": "R(pim)",
"value": 0.859
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.484
}
]
},
{
"resolution_limits": [61.440,12.050],
"number_observations": 2167,
"number_observations_unique": 610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 44.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}