Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab89f5d6c18bfa01f7515c5dd11f1e85",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 68.75,
"b": 68.75,
"c": 191.00,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.54,1.490],
"number_observations_unique": 44707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 33.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.490],
"number_observations": 78317,
"number_observations_unique": 3238,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.796
},
{
"type": "R(meas)",
"value": 2.856
},
{
"type": "R(pim)",
"value": 0.578
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.200
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [56.840,6.660],
"number_observations": 18340,
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 28.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}