Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86cdcdfc49bb71c509369ecc64062e0c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.124,
"b": 96.436,
"c": 100.263,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.770,1.600],
"number_observations": 501521,
"number_observations_unique": 76895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.600],
"number_observations": 51880,
"number_observations_unique": 7712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.622
},
{
"type": "R(meas)",
"value": 0.672
},
{
"type": "R(pim)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [19.770,5.990],
"number_observations": 8950,
"number_observations_unique": 1489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 27.800
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}