Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "262ea992eb76ebfc8ce6ad1d47cc617f",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 183.873,
"b": 183.873,
"c": 183.873,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950,1.73840,1.75120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.94,1.35],
"number_observations_unique": 58676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 21.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 21.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.42,1.35],
"number_observations_unique": 8406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.598
},
{
"type": "R(meas)",
"value": 0.626
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 21.0
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.90,1.80],
"number_observations_unique": 3344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 93.3
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [1.90,1.80],
"number_observations_unique": 3199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 89.3
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
}
]
}