Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8c4361313ed9a3847ee291401bbaf85",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 124.150,
"b": 124.150,
"c": 40.874,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.820,1.610],
"number_observations": 525617,
"number_observations_unique": 46985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.610],
"number_observations": 37841,
"number_observations_unique": 3439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.768
},
{
"type": "R(meas)",
"value": 0.805
},
{
"type": "R(pim)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [29.820,7.200],
"number_observations": 6501,
"number_observations_unique": 571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 85.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}