Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d862e792ca34796126a720a7b5ac5db",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 147.183,
"b": 89.643,
"c": 86.312,
"alpha": 90.00,
"beta": 122.55,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.850,2.190],
"number_observations_unique": 48442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.190],
"number_observations": 20792,
"number_observations_unique": 4127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "R(meas)",
"value": 0.529
},
{
"type": "R(pim)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [20.710,9.030],
"number_observations": 5446,
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}