Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0fd94988d90afaa0a0d09bfe2185270d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.287,
"b": 79.684,
"c": 111.117,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95369],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.080,1.900],
"number_observations": 289860,
"number_observations_unique": 42802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 17771,
"number_observations_unique": 2704,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.317
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
},
{
"resolution_limits": [48.080,9.110],
"number_observations": 2517,
"number_observations_unique": 460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 21.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}