Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "212b7f9eff236edf1c5fe35f3a2617be",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.568,
"b": 52.860,
"c": 44.490,
"alpha": 90.0,
"beta": 102.9,
"gamma": 90.0
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.880,1.720],
"number_observations": 94899,
"number_observations_unique": 27069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.720],
"number_observations": 4216,
"number_observations_unique": 1390,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.626
},
{
"type": "R(meas)",
"value": 1.965
},
{
"type": "R(pim)",
"value": 1.084
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.406
}
]
},
{
"resolution_limits": [54.880,9.100],
"number_observations": 773,
"number_observations_unique": 202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}