Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a20c7c70a16af3204e75e4f4b16cf7cd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 147.750,
"b": 89.691,
"c": 86.299,
"alpha": 90.00,
"beta": 122.49,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.13,1.900],
"number_observations_unique": 74644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 15925,
"number_observations_unique": 4561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.544
},
{
"type": "R(meas)",
"value": 0.635
},
{
"type": "R(pim)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [19.350,9.310],
"number_observations": 7379,
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 45.300
},
{
"type": "Completeness",
"value": 85.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}