Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45fccee16f228bdc10bc45030e92e564",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 36.377,
"b": 72.860,
"c": 120.910,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.520,2.180],
"number_observations": 135548,
"number_observations_unique": 17524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.180],
"number_observations": 9213,
"number_observations_unique": 1248,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.052
},
{
"type": "R(meas)",
"value": 1.131
},
{
"type": "R(pim)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.622
}
]
},
{
"resolution_limits": [46.520,9.750],
"number_observations": 1537,
"number_observations_unique": 250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 52.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}