Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "080a64c1398f64c2ab6bc40bf9f8303a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 30.062,
"b": 56.176,
"c": 73.289,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.730,0.960],
"number_observations": 763574,
"number_observations_unique": 76153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 23.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [0.980,0.960],
"number_observations_unique": 3307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "R(meas)",
"value": 0.848
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [18.730,5.260],
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
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},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}