Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b89736feae3c551bd5fe7cf530c01a30",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.022,
"b": 98.612,
"c": 58.339,
"alpha": 90.0,
"beta": 107.4,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.310,2.000],
"number_observations": 136296,
"number_observations_unique": 39124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 10474,
"number_observations_unique": 2964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.723
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
},
{
"resolution_limits": [49.310,8.940],
"number_observations": 1645,
"number_observations_unique": 473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}