Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b7fbfc7d16667819d053688080e7509",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 102.41,
"b": 112.31,
"c": 57.11,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.040,1.050],
"number_observations": 2684244,
"number_observations_unique": 304642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.050],
"number_observations": 148862,
"number_observations_unique": 21788,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.290
},
{
"type": "R(pim)",
"value": 0.517
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.510
}
]
},
{
"resolution_limits": [40.040,4.700],
"number_observations": 30821,
"number_observations_unique": 3717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 48.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}