Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f78182c28d8fa34f52ddf2ba88b7ed80",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.753,
"b": 101.786,
"c": 145.919,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.640,2.380],
"number_observations": 170249,
"number_observations_unique": 26808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.380],
"number_observations": 16622,
"number_observations_unique": 2768,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.973
},
{
"type": "R(meas)",
"value": 3.256
},
{
"type": "R(pim)",
"value": 1.310
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.268
}
]
},
{
"resolution_limits": [48.640,8.910],
"number_observations": 3297,
"number_observations_unique": 605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 33.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}