Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7169190fc0efb4d0862cad2898f831fa",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 107.921,
"b": 58.192,
"c": 115.253,
"alpha": 90.00,
"beta": 93.06,
"gamma": 90.00
},
"wavelengths": [1.00004],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.670,3.260],
"number_observations": 153811,
"number_observations_unique": 22723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [3.520,3.260],
"number_observations": 31305,
"number_observations_unique": 4600,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.144
},
{
"type": "R(meas)",
"value": 1.237
},
{
"type": "R(pim)",
"value": 0.468
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.718
}
]
},
{
"resolution_limits": [49.670,8.620],
"number_observations": 8113,
"number_observations_unique": 1295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 20.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}