Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8b3236173c4e6e47d9493f7fc6c44aee",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.830,
"b": 88.830,
"c": 39.624,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.420,1.020],
"number_observations": 1009107,
"number_observations_unique": 156889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,1.020],
"number_observations": 42287,
"number_observations_unique": 7547,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.696
},
{
"type": "R(meas)",
"value": 2.968
},
{
"type": "R(pim)",
"value": 1.219
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.349
}
]
},
{
"resolution_limits": [44.420,5.590],
"number_observations": 7139,
"number_observations_unique": 1040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 40.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}