Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c346969d11d51520c53c9acf32765abf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.747,
"b": 68.349,
"c": 138.411,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.420,1.810],
"number_observations": 404166,
"number_observations_unique": 59556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.810],
"number_observations": 23234,
"number_observations_unique": 3331,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.516
},
{
"type": "R(meas)",
"value": 3.805
},
{
"type": "R(pim)",
"value": 1.438
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.342
}
]
},
{
"resolution_limits": [138.420,9.040],
"number_observations": 3207,
"number_observations_unique": 580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 45.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
}
]
}