Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c82905d58bdeaaa6017d70c6f30065b1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 118.013,
"b": 63.590,
"c": 74.716,
"alpha": 90.00,
"beta": 126.77,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.410,1.470],
"number_observations": 279376,
"number_observations_unique": 74603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.470],
"number_observations": 11759,
"number_observations_unique": 3263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.767
},
{
"type": "R(meas)",
"value": 0.894
},
{
"type": "R(pim)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.661
}
]
},
{
"resolution_limits": [48.410,8.040],
"number_observations": 1653,
"number_observations_unique": 470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}