Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "725426709ea6cbe057c2456fa9175598",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 62.787,
"b": 319.962,
"c": 45.648,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.990,2.650],
"number_observations_unique": 28079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.542
},
{
"type": "R(meas)",
"value": 0.554
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.790,2.650],
"number_observations": 54370,
"number_observations_unique": 4012,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.095
},
{
"type": "R(meas)",
"value": 7.380
},
{
"type": "R(pim)",
"value": 2.011
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.379
}
]
},
{
"resolution_limits": [79.990,8.370],
"number_observations": 21984,
"number_observations_unique": 1046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}