Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "39a228f1ac623e5475b37d410d1fe8b3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.896,
"b": 101.847,
"c": 170.095,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97933],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.8300,2.630],
"number_observations_unique": 42052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.730,2.630],
"number_observations": 35503,
"number_observations_unique": 4328,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.609
},
{
"type": "R(meas)",
"value": 2.783
},
{
"type": "R(pim)",
"value": 0.964
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.441
}
]
},
{
"resolution_limits": [48.780,9.840],
"number_observations": 5526,
"number_observations_unique": 895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 50.700
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}