Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d261c2ee6d8418f6a1909154fb24b1a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 166.777,
"b": 37.374,
"c": 43.911,
"alpha": 90.00,
"beta": 95.67,
"gamma": 90.00
},
"wavelengths": [0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.920,1.450],
"number_observations": 138163,
"number_observations_unique": 46236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"number_observations": 4603,
"number_observations_unique": 1930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.786
},
{
"type": "R(meas)",
"value": 0.980
},
{
"type": "R(pim)",
"value": 0.575
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 75.400
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.616
}
]
},
{
"resolution_limits": [18.920,7.670],
"number_observations": 950,
"number_observations_unique": 305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 26.300
},
{
"type": "Completeness",
"value": 86.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}