Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4fd85930c752b998c79bee051dce585b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.066,
"b": 122.966,
"c": 86.590,
"alpha": 90.00,
"beta": 103.39,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.810,2.160],
"number_observations": 188348,
"number_observations_unique": 49524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.160],
"number_observations": 15744,
"number_observations_unique": 4188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [44.810,8.920],
"number_observations": 2556,
"number_observations_unique": 724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 49.700
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}