Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "c22c57e6b038aad9a0d52ccb54769ae7",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.749,
"b": 88.749,
"c": 39.530,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.370,1.010],
"number_observations": 1039793,
"number_observations_unique": 161081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.030,1.010],
"number_observations": 40075,
"number_observations_unique": 7817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.981
},
{
"type": "R(meas)",
"value": 1.094
},
{
"type": "R(pim)",
"value": 0.470
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [44.370,5.530],
"number_observations": 7236,
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 38.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}