Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f5f01dff51edadf3da1d12df6d47c6a",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 82.838,
"b": 82.838,
"c": 247.556,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.740,1.420],
"number_observations": 3543087,
"number_observations_unique": 95612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 37.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.420],
"number_observations": 175399,
"number_observations_unique": 4646,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.760
},
{
"type": "R(meas)",
"value": 1.784
},
{
"type": "R(pim)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 37.800
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [71.740,7.780],
"number_observations": 21761,
"number_observations_unique": 757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}