Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4c4ba6c0941ec3144f95db8c03c2531",
"space_group_name": "P 1",
"unit_cell": {
"a": 43.47,
"b": 92.14,
"c": 96.11,
"alpha": 65.89,
"beta": 83.66,
"gamma": 84.12
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.480,2.150],
"number_observations": 276850,
"number_observations_unique": 71890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.150],
"number_observations": 13030,
"number_observations_unique": 4584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.505
},
{
"type": "R(pim)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [87.480,10.310],
"number_observations": 2523,
"number_observations_unique": 657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}