Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "929af74dd7f53da0f413d1e44a8cb9c4",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.88,
"b": 46.81,
"c": 58.34,
"alpha": 67.39,
"beta": 68.46,
"gamma": 69.57
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.930,1.640],
"number_observations": 82967,
"number_observations_unique": 46555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.640],
"number_observations": 6115,
"number_observations_unique": 3410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.670
},
{
"type": "R(meas)",
"value": 0.948
},
{
"type": "R(pim)",
"value": 0.670
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.614
}
]
},
{
"resolution_limits": [41.930,7.330],
"number_observations": 1029,
"number_observations_unique": 521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 27.500
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}