Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f5bc075e05d1dc13209f2fecf399f9e",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 99.836,
"b": 99.836,
"c": 99.654,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.910,1.870],
"number_observations": 157595,
"number_observations_unique": 15965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.870],
"number_observations": 11895,
"number_observations_unique": 1168,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.150
},
{
"type": "R(meas)",
"value": 2.264
},
{
"type": "R(pim)",
"value": 0.707
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.453
}
]
},
{
"resolution_limits": [49.910,8.360],
"number_observations": 1899,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 31.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}