Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f766b414e21e3e3f896e199e798445f4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.277,
"b": 149.383,
"c": 96.032,
"alpha": 90.00,
"beta": 96.91,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.050,1.700],
"number_observations": 494444,
"number_observations_unique": 131782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 24609,
"number_observations_unique": 6571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [43.050,9.310],
"number_observations": 3008,
"number_observations_unique": 825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}