Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f31ad77378a65aeb7d4241016ed222e5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.07,
"b": 72.66,
"c": 130.70,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.350,1.930],
"number_observations": 217894,
"number_observations_unique": 34211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations": 11705,
"number_observations_unique": 2230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.825
},
{
"type": "R(meas)",
"value": 0.916
},
{
"type": "R(pim)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.647
}
]
},
{
"resolution_limits": [65.350,9.060],
"number_observations": 2235,
"number_observations_unique": 391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 34.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}