Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9badf92bf24b2bdd3e7820d63ba70d88",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 154.456,
"b": 154.456,
"c": 257.916,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.54,3.200],
"number_observations_unique": 30769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.370,3.200],
"number_observations": 83417,
"number_observations_unique": 4397,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.261
},
{
"type": "R(meas)",
"value": 1.296
},
{
"type": "R(pim)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [49.500,10.120],
"number_observations": 18377,
"number_observations_unique": 1131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 50.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 16.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}