Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61ce052e48fc9255e797db920054a9a2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.316,
"b": 41.387,
"c": 71.931,
"alpha": 90.00,
"beta": 104.22,
"gamma": 90.00
},
"wavelengths": [0.91770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.080,1.406],
"number_observations_unique": 47132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.410],
"number_observations": 13523,
"number_observations_unique": 2328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.604
},
{
"type": "R(meas)",
"value": 0.664
},
{
"type": "R(pim)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [32.080,7.570],
"number_observations": 2064,
"number_observations_unique": 331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 52.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}