Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "abedc76a91e8d60689247bb34b31850b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.922,
"b": 27.440,
"c": 56.469,
"alpha": 90.0,
"beta": 99.9,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.630,1.190],
"number_observations": 172626,
"number_observations_unique": 33704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 561,
"number_observations_unique": 437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "R(meas)",
"value": 0.613
},
{
"type": "R(pim)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 22.600
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [55.630,6.520],
"number_observations": 1417,
"number_observations_unique": 279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 40.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
}
]
}