Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30bc84b421a32a5fa8c0a5564ec4d295",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 69.897,
"b": 46.634,
"c": 120.048,
"alpha": 90.00,
"beta": 98.25,
"gamma": 90.00
},
"wavelengths": [0.97242],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.450,3.030],
"number_observations_unique": 7406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [3.210,3.030],
"number_observations": 4054,
"number_observations_unique": 1092,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.409
},
{
"type": "R(meas)",
"value": 1.623
},
{
"type": "R(pim)",
"value": 0.788
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [43.410,9.090],
"number_observations": 1036,
"number_observations_unique": 298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}