Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7627e66a76b15d2c0ee1a97bb4eb584",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.755,
"b": 112.887,
"c": 87.529,
"alpha": 90.00,
"beta": 104.92,
"gamma": 90.00
},
"wavelengths": [0.96863],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.000,2.080],
"number_observations": 343665,
"number_observations_unique": 91492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.080],
"number_observations_unique": 13331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.712
},
{
"type": "R(meas)",
"value": 0.830
},
{
"type": "R(pim)",
"value": 0.422
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.734
}
]
},
{
"resolution_limits": [79.000,6.590],
"number_observations_unique": 2981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}