Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "cfecbbc150c4539ea91c64e0afb1d5a9",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.769,
"b": 88.769,
"c": 39.469,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.380,1.020],
"number_observations": 1005292,
"number_observations_unique": 156142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,1.020],
"number_observations": 44395,
"number_observations_unique": 7523,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.323
},
{
"type": "R(meas)",
"value": 1.452
},
{
"type": "R(pim)",
"value": 0.585
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.739
}
]
},
{
"resolution_limits": [44.380,5.590],
"number_observations": 7120,
"number_observations_unique": 1036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 65.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}