Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "1a1f9961e6db9619f64606ba3f3b23b1",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 54.146,
"b": 110.352,
"c": 38.906,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.176,1.274],
"number_observations_unique": 42328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 91.9
},
{
"type": "Redundancy",
"value": 8.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [55.176,4.046],
"number_observations_unique": 2116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 37.1
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 8.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.413,1.274],
"number_observations_unique": 2116,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.033
},
{
"type": "R(meas)",
"value": 1.147
},
{
"type": "R(pim)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 54.8
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.649
}
]
}
]
}