Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9db1ba33a883c6fa92928cfd63aea095",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.79,
"b": 93.45,
"c": 126.72,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.760,2.120],
"number_observations": 573213,
"number_observations_unique": 40211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.190,2.120],
"number_observations": 45977,
"number_observations_unique": 3256,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.916
},
{
"type": "R(pim)",
"value": 0.525
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.538
}
]
},
{
"resolution_limits": [49.760,9.010],
"number_observations": 7847,
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 38.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}