Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23937bad9e246b53fee39bb9decf1df4",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 154.972,
"b": 167.338,
"c": 47.677,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.680,3.080],
"number_observations": 152197,
"number_observations_unique": 23924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.230
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [3.160,3.080],
"number_observations": 11807,
"number_observations_unique": 1777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.851
},
{
"type": "R(meas)",
"value": 0.922
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.708
}
]
},
{
"resolution_limits": [83.680,13.770],
"number_observations": 1906,
"number_observations_unique": 338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}