Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3403d0440c4226e9eead732433efbe64",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.213,
"b": 53.766,
"c": 113.892,
"alpha": 90.00,
"beta": 101.49,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.440,2.260],
"number_observations": 88831,
"number_observations_unique": 25931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.260],
"number_observations": 8356,
"number_observations_unique": 2382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.652
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [48.440,9.030],
"number_observations": 1379,
"number_observations_unique": 430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}