Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b23cb38520504df8d3688040fbbd9acd",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 69.826,
"b": 69.826,
"c": 85.549,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.770,1.570],
"number_observations": 784827,
"number_observations_unique": 30288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations": 36549,
"number_observations_unique": 1491,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.460
},
{
"type": "R(meas)",
"value": 1.491
},
{
"type": "R(pim)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.500
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [42.770,8.600],
"number_observations": 4678,
"number_observations_unique": 239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 46.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 19.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}