Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f21602881aa73abbe6d9afc84bc5409a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.418,
"b": 78.756,
"c": 112.820,
"alpha": 90.00,
"beta": 94.96,
"gamma": 90.00
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.760,1.900],
"number_observations": 345513,
"number_observations_unique": 87227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations": 16968,
"number_observations_unique": 4452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "R(pim)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [78.760,10.230],
"number_observations": 2550,
"number_observations_unique": 603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}