Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fced2310b08ed1ab6628d8cfebd7460d",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 70.914,
"b": 70.914,
"c": 149.696,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.200,1.640],
"number_observations": 616912,
"number_observations_unique": 47900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 25.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.640],
"number_observations": 27654,
"number_observations_unique": 2242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.890
},
{
"type": "R(meas)",
"value": 0.929
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [29.200,8.970],
"number_observations": 3841,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 80.100
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}