Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "394a9f1fb566c757c5976af7a6a3d375",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.420,
"b": 197.708,
"c": 50.468,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.3,2.75],
"number_observations_unique": 25640,
"quality_factors": [
{
"type": "I/SigI",
"value": 16.24
},
{
"type": "Completeness",
"value": 99.73
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.91,2.75],
"number_observations_unique": 2746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(meas)",
"value": 0.482
},
{
"type": "CC(1/2)",
"value": 0.73
}
]
},
{
"resolution_limits": [3.11,2.91],
"number_observations_unique": 2551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [3.36,3.11],
"number_observations_unique": 2228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.19
},
{
"type": "CC(1/2)",
"value": 0.95
}
]
},
{
"resolution_limits": [3.68,3.36],
"number_observations_unique": 2058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [4.11,3.68],
"number_observations_unique": 1777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.74,4.11],
"number_observations_unique": 1583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.79,4.74],
"number_observations_unique": 1249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [8.14,5.79],
"number_observations_unique": 975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}