Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f971b1ed93d1dec611a1f3acd92c47de",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.468,
"b": 37.992,
"c": 62.477,
"alpha": 90.00,
"beta": 96.81,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.940,1.450],
"number_observations": 63571,
"number_observations_unique": 33303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 2087,
"number_observations_unique": 1255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.649
},
{
"type": "R(meas)",
"value": 0.918
},
{
"type": "R(pim)",
"value": 0.649
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 77.300
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.472
}
]
},
{
"resolution_limits": [19.940,7.940],
"number_observations": 375,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 48.700
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}