Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "370ede9a5a1bafada76b8af08d104098",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 177.253,
"b": 177.253,
"c": 177.253,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.630,1.860],
"number_observations": 1373660,
"number_observations_unique": 77756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 17.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.860],
"number_observations": 66956,
"number_observations_unique": 4427,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.235
},
{
"type": "R(meas)",
"value": 2.312
},
{
"type": "R(pim)",
"value": 0.579
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 15.100
},
{
"type": "CC(1/2)",
"value": 0.611
}
]
},
{
"resolution_limits": [39.630,9.280],
"number_observations": 12248,
"number_observations_unique": 673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 44.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 18.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}