Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c25eb5298e2135773a7b1d7eb42c342",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.351,
"b": 96.144,
"c": 57.900,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.870,1.840],
"number_observations": 129912,
"number_observations_unique": 20130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 5809,
"number_observations_unique": 1070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.904
},
{
"type": "R(meas)",
"value": 0.995
},
{
"type": "R(pim)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 85.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.791
}
]
},
{
"resolution_limits": [29.870,9.000],
"number_observations": 1239,
"number_observations_unique": 204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 64.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}