Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c0eb80ec54367a9de1c40b110b6c635",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.688,
"b": 48.105,
"c": 92.574,
"alpha": 90.00,
"beta": 105.73,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.820,2.200],
"number_observations": 77735,
"number_observations_unique": 23338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 6185,
"number_observations_unique": 1938,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.002
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.397
}
]
},
{
"resolution_limits": [18.820,9.060],
"number_observations": 1044,
"number_observations_unique": 326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}