Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a6a3d26c548344ac2e5459b526b74532",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.780,
"b": 82.704,
"c": 104.979,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.710,1.440],
"number_observations": 586220,
"number_observations_unique": 80761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.440],
"number_observations": 27692,
"number_observations_unique": 3937,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.039
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.597
}
]
},
{
"resolution_limits": [45.710,7.890],
"number_observations": 3345,
"number_observations_unique": 571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 60.800
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}