Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "396b1343835bd366afc8458dca915d5f",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 112.135,
"b": 145.250,
"c": 161.896,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.690,3.190],
"number_observations": 396324,
"number_observations_unique": 44776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.190],
"number_observations": 42129,
"number_observations_unique": 4661,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.863
},
{
"type": "R(meas)",
"value": 3.038
},
{
"type": "R(pim)",
"value": 1.006
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.246
}
]
},
{
"resolution_limits": [48.690,11.940],
"number_observations": 6990,
"number_observations_unique": 950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 45.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}