Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a30a373da7545e1a28fbbadee038242",
"space_group_name": "P 1",
"unit_cell": {
"a": 48.961,
"b": 59.772,
"c": 80.215,
"alpha": 79.30,
"beta": 81.69,
"gamma": 75.95
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.140,1.650],
"number_observations": 341941,
"number_observations_unique": 100346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations": 19946,
"number_observations_unique": 7328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.580
},
{
"type": "R(meas)",
"value": 0.717
},
{
"type": "R(pim)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [50.140,7.380],
"number_observations": 4216,
"number_observations_unique": 1151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}