Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e8b222b43544725d624adad54dd1dd39",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.807,
"b": 58.292,
"c": 49.785,
"alpha": 90.00,
"beta": 112.25,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.570,2.050],
"number_observations": 56558,
"number_observations_unique": 16912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 4472,
"number_observations_unique": 1321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.759
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [49.570,8.940],
"number_observations": 677,
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}