Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "be07f36b2a7be7eb0916e1b391b93bc5",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 48.802,
"b": 48.802,
"c": 193.960,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.49,1.93],
"number_observations_unique": 21173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 23.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.6
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [48.49,9.05],
"number_observations_unique": 271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 70.9
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.98,1.93],
"number_observations_unique": 1377,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.224
},
{
"type": "R(meas)",
"value": 1.343
},
{
"type": "R(pim)",
"value": 0.548
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.746
}
]
}
]
}