Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53df1a4c938875815a61ad4bd2c7af8c",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 143.985,
"b": 49.497,
"c": 144.957,
"alpha": 90.00,
"beta": 101.21,
"gamma": 90.00
},
"wavelengths": [0.95380],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.830,3.170],
"number_observations_unique": 17212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.390,3.170],
"number_observations_unique": 3016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.649
},
{
"type": "R(meas)",
"value": 0.746
},
{
"type": "R(pim)",
"value": 0.364
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [47.830,8.980],
"number_observations_unique": 809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}