Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ff438de2d772f7ee3f18df07250534b1",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.307,
"b": 96.516,
"c": 57.846,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.920,1.920],
"number_observations": 112252,
"number_observations_unique": 17636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 7113,
"number_observations_unique": 1190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.972
},
{
"type": "R(meas)",
"value": 1.061
},
{
"type": "R(pim)",
"value": 0.420
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
},
{
"resolution_limits": [28.920,8.600],
"number_observations": 1434,
"number_observations_unique": 231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 63.900
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}