Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6fe0999814872cad4cac81dae2f088b9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.432,
"b": 79.136,
"c": 89.221,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.200,1.500],
"number_observations": 462964,
"number_observations_unique": 71958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.500],
"number_observations": 59001,
"number_observations_unique": 10390,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.842
},
{
"type": "R(meas)",
"value": 2.032
},
{
"type": "R(pim)",
"value": 0.850
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.419
}
]
},
{
"resolution_limits": [59.200,4.730],
"number_observations": 14756,
"number_observations_unique": 2485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}