Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d302d12132675e1f5e36b95c7229f57e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.114,
"b": 101.017,
"c": 146.440,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11588],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.810,1.900],
"number_observations": 336156,
"number_observations_unique": 52285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 20662,
"number_observations_unique": 3255,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.216
},
{
"type": "R(meas)",
"value": 2.410
},
{
"type": "R(pim)",
"value": 0.934
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.303
}
]
},
{
"resolution_limits": [48.810,9.110],
"number_observations": 3347,
"number_observations_unique": 569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}