Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f7025f95e9e99a1f8aa91fc350af3f3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.715,
"b": 83.165,
"c": 84.237,
"alpha": 90.00,
"beta": 94.37,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.410,2.200],
"number_observations": 144767,
"number_observations_unique": 41586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 12584,
"number_observations_unique": 3600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.670
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [48.410,9.070],
"number_observations": 2061,
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}