Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "24ee35038e2f2ab32b6414ddc9ecc83b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 110.950,
"b": 117.561,
"c": 160.380,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.489],
"number_observations_unique": 73777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.489],
"number_observations_unique": 7255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.920
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.0
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations_unique": 7285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.755
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.0
}
]
},
{
"resolution_limits": [2.820,2.690],
"number_observations_unique": 7299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.576
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [2.960,2.820],
"number_observations_unique": 7295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.409
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [3.150,2.960],
"number_observations_unique": 7319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.8
}
]
},
{
"resolution_limits": [3.390,3.150],
"number_observations_unique": 7354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 7356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [4.270,3.730],
"number_observations_unique": 7403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [5.380,4.270],
"number_observations_unique": 7473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [50.000,5.380],
"number_observations_unique": 7738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.9
}
]
}
]
}