Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "722803eb323c5163c4c6ff6ba899ec10",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.098,
"b": 44.336,
"c": 78.936,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.340,1.200],
"number_observations_unique": 77580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 5459,
"number_observations_unique": 1837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "R(meas)",
"value": 0.674
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [44.340,6.570],
"number_observations": 1006,
"number_observations_unique": 283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 26.200
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}