Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c4d3c62e27f9e9a4fb5c5bb458d2c0f",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 70.845,
"b": 70.845,
"c": 149.463,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.170,2.380],
"number_observations": 199775,
"number_observations_unique": 15838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.380],
"number_observations": 17669,
"number_observations_unique": 1533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.811
},
{
"type": "R(meas)",
"value": 0.847
},
{
"type": "R(pim)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [29.170,8.570],
"number_observations": 4427,
"number_observations_unique": 414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 43.400
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}