Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d6f7df0bfe15e2480bb88b0ad639b5a",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.54,
"b": 67.54,
"c": 166.12,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.860,1.800],
"number_observations": 196984,
"number_observations_unique": 21679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 11591,
"number_observations_unique": 1244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.594
},
{
"type": "R(meas)",
"value": 0.629
},
{
"type": "R(pim)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [33.860,9.000],
"number_observations": 1540,
"number_observations_unique": 226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}