Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ee9c35382fda3b8bfa9fb783706729a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.674,
"b": 56.643,
"c": 101.822,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.500,1.620],
"number_observations": 245740,
"number_observations_unique": 41485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.620],
"number_observations": 29613,
"number_observations_unique": 5921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.730
},
{
"type": "R(meas)",
"value": 0.816
},
{
"type": "R(pim)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [49.500,5.120],
"number_observations": 9814,
"number_observations_unique": 1473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}