Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f7ce0c6d016346cff785b855f045ee4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.06,
"b": 51.05,
"c": 78.48,
"alpha": 90.00,
"beta": 92.84,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.210,1.650],
"number_observations": 256584,
"number_observations_unique": 41516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 12027,
"number_observations_unique": 2039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "R(meas)",
"value": 0.479
},
{
"type": "R(pim)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [39.210,9.040],
"number_observations": 1358,
"number_observations_unique": 227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}