Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "48867bb4bf88cbdd6d8cd42d9c3d61c3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.394,
"b": 56.569,
"c": 101.714,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.720,1.580],
"number_observations": 257514,
"number_observations_unique": 44450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.580],
"number_observations": 32981,
"number_observations_unique": 6397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.668
},
{
"type": "R(meas)",
"value": 0.744
},
{
"type": "R(pim)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.599
}
]
},
{
"resolution_limits": [21.720,5.000],
"number_observations": 9896,
"number_observations_unique": 1547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 40.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}