Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb6bfdb0aa0cc5c481b9883ea908812e",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 93.589,
"b": 93.589,
"c": 111.152,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.79687],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.790,1.680],
"number_observations": 884857,
"number_observations_unique": 58636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 15.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 1964,
"number_observations_unique": 771,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.678
},
{
"type": "R(meas)",
"value": 2.050
},
{
"type": "R(pim)",
"value": 1.150
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 23.500
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.209
}
]
},
{
"resolution_limits": [46.790,9.030],
"number_observations": 9033,
"number_observations_unique": 487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 87.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}