Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d3520e87dea93890c5d8e52fb83c220",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 61.22,
"b": 93.57,
"c": 75.49,
"alpha": 90.00,
"beta": 93.01,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.700,1.640],
"number_observations": 690195,
"number_observations_unique": 103762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.640],
"number_observations": 51705,
"number_observations_unique": 7619,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.563
},
{
"type": "R(meas)",
"value": 1.692
},
{
"type": "R(pim)",
"value": 0.643
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.570
}
]
},
{
"resolution_limits": [58.700,7.330],
"number_observations": 8012,
"number_observations_unique": 1215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 34.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}