Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "52e17a0bc5e6f9ba26c4cc369883b2b2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 108.773,
"b": 155.286,
"c": 271.018,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87290],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.310,3.300],
"number_observations": 227912,
"number_observations_unique": 67483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
"refln_shells": [
{
"resolution_limits": [3.380,3.300],
"number_observations": 15977,
"number_observations_unique": 4574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.681
},
{
"type": "R(pim)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
},
{
"resolution_limits": [46.310,15.480],
"number_observations": 2344,
"number_observations_unique": 679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}