Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a7cc964e2de82816ede8fa43c22cc4a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.331,
"b": 75.968,
"c": 222.661,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.665,2.05],
"number_observations_unique": 39668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.306,2.082],
"number_observations": 12782,
"number_observations_unique": 1983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.909
},
{
"type": "R(meas)",
"value": 0.990
},
{
"type": "R(pim)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 78.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.796
}
]
},
{
"resolution_limits": [55.665,6.855],
"number_observations": 10594,
"number_observations_unique": 1982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}