Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4af91824f268435a7c11305e0c557eac",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.60,
"b": 58.45,
"c": 123.09,
"alpha": 90.0,
"beta": 95.1,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.300,2.000],
"number_observations": 269000,
"number_observations_unique": 62323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 18469,
"number_observations_unique": 4349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "R(pim)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [61.300,8.940],
"number_observations": 3178,
"number_observations_unique": 779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
}
]
}