Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "be822819edcc92c6b820e6eee77173bc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.991,
"b": 41.293,
"c": 72.047,
"alpha": 90.00,
"beta": 103.85,
"gamma": 90.00
},
"wavelengths": [0.91770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.050,1.605],
"number_observations_unique": 31486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.610],
"number_observations": 4886,
"number_observations_unique": 1526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.515
},
{
"type": "R(meas)",
"value": 0.617
},
{
"type": "R(pim)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [32.050,8.790],
"number_observations": 660,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 35.600
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}