Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc1d315eec011977df2c0713db3a6fc0",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 87.88,
"b": 140.90,
"c": 79.56,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.740,1.750],
"number_observations": 298692,
"number_observations_unique": 50058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.750],
"number_observations": 19421,
"number_observations_unique": 3685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.849
},
{
"type": "R(pim)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.727
}
]
},
{
"resolution_limits": [36.740,7.830],
"number_observations": 3373,
"number_observations_unique": 626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 43.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}