Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c117944208cf06c8fbf500fc7176c91d",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 169.049,
"b": 169.049,
"c": 115.106,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.140,3.009],
"number_observations_unique": 37859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 46.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [3.090,3.009],
"number_observations_unique": 2740,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.167
},
{
"type": "R(meas)",
"value": 3.243
},
{
"type": "R(pim)",
"value": 0.696
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.500
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [115.140,13.460],
"number_observations_unique": 485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 45.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}