Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8f751093de34945b38322b06b8ad1072",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.911,
"b": 98.388,
"c": 58.186,
"alpha": 90.00,
"beta": 107.39,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.190,1.650],
"number_observations": 246165,
"number_observations_unique": 70811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 12480,
"number_observations_unique": 3534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [49.190,9.040],
"number_observations": 1586,
"number_observations_unique": 456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 25.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}