Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f7e8dda08db87ebbbb8ab7dcff8e36ac",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 83.413,
"b": 154.006,
"c": 115.925,
"alpha": 90.00,
"beta": 109.78,
"gamma": 90.00
},
"wavelengths": [1.54056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.950,2.400],
"number_observations_unique": 107088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.400],
"number_observations": 17128,
"number_observations_unique": 5257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.455
},
{
"type": "R(meas)",
"value": 0.546
},
{
"type": "R(pim)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [19.940,13.150],
"number_observations": 2343,
"number_observations_unique": 477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 70.400
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}