Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "29f34ce16c54720006df1e37c2db6d84",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 177.335,
"b": 177.335,
"c": 177.335,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.650,1.830],
"number_observations": 1435776,
"number_observations_unique": 81545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 17.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.830],
"number_observations": 67880,
"number_observations_unique": 4346,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.948
},
{
"type": "R(meas)",
"value": 3.045
},
{
"type": "R(pim)",
"value": 0.748
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 15.600
},
{
"type": "CC(1/2)",
"value": 0.606
}
]
},
{
"resolution_limits": [39.650,9.490],
"number_observations": 11343,
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 33.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}