Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c501bb9de3f1a408d687d16b3ce0d2e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.340,
"b": 67.081,
"c": 82.183,
"alpha": 90.000,
"beta": 91.137,
"gamma": 90.000
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.960,2.110],
"number_observations": 106134,
"number_observations_unique": 30167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.110],
"number_observations": 16573,
"number_observations_unique": 4544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.627
},
{
"type": "R(meas)",
"value": 0.733
},
{
"type": "R(pim)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [51.960,6.680],
"number_observations": 3853,
"number_observations_unique": 1051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}