Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "10c6f30adbe55cfd6e2d8ad65b64048b",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 78.940,
"b": 78.940,
"c": 233.481,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.39,1.58],
"number_observations_unique": 38817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 25.7
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [44.39,8.65],
"number_observations_unique": 279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 93.5
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.61,1.58],
"number_observations_unique": 1901,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.047
},
{
"type": "R(meas)",
"value": 1.166
},
{
"type": "R(pim)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.2
},
{
"type": "CC(1/2)",
"value": 0.669
}
]
}
]
}