Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f9ba2fcecafe87a75fbe9c00c9b3b7d5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.531,
"b": 156.753,
"c": 63.893,
"alpha": 90.0,
"beta": 115.2,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.530,2.090],
"number_observations": 353510,
"number_observations_unique": 59080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.090],
"number_observations": 22739,
"number_observations_unique": 4328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [46.530,9.120],
"number_observations": 5149,
"number_observations_unique": 759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 37.000
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}