Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4f11c2b2437049155fd29f90cc36504d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 147.620,
"b": 90.163,
"c": 86.484,
"alpha": 90.00,
"beta": 122.33,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [10.000,1.900],
"number_observations": 396136,
"number_observations_unique": 74317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 14387,
"number_observations_unique": 4541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "R(meas)",
"value": 0.369
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.845
}
]
},
{
"resolution_limits": [10.000,9.310],
"number_observations": 1659,
"number_observations_unique": 136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 54.300
},
{
"type": "Completeness",
"value": 20.300
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}