Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ddae9a5f6b6b7b5a79d22e6396d97ba0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.682,
"b": 64.753,
"c": 48.013,
"alpha": 90.00,
"beta": 110.68,
"gamma": 90.00
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.920,1.3470],
"number_observations_unique": 60426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.350],
"number_observations": 41037,
"number_observations_unique": 8796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "R(meas)",
"value": 0.568
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [44.920,4.260],
"number_observations": 11698,
"number_observations_unique": 1976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 45.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}