Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a0ee1a284562b77a468e2a3ea573bc2",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 50.512,
"b": 84.722,
"c": 95.034,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11580],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.520,2.850],
"number_observations_unique": 9998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "R(meas)",
"value": 0.377
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.850],
"number_observations_unique": 1423,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.352
},
{
"type": "R(meas)",
"value": 2.443
},
{
"type": "R(pim)",
"value": 0.655
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.605
}
]
},
{
"resolution_limits": [47.520,9.010],
"number_observations_unique": 376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 27.6
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}