Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cb2b45dec1ba717db4cadf9a1e9a58a8",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 113.15,
"b": 113.15,
"c": 326.14,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.450,2.230],
"number_observations": 596786,
"number_observations_unique": 39789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "R(meas)",
"value": 0.452
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 15.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.230],
"number_observations": 48318,
"number_observations_unique": 3526,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.477
},
{
"type": "R(meas)",
"value": 6.728
},
{
"type": "R(pim)",
"value": 1.792
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.296
}
]
},
{
"resolution_limits": [48.450,8.900],
"number_observations": 8767,
"number_observations_unique": 701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 30.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}