Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a581c79ec924a09b0d6e0f4ce270720",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 39.70,
"b": 60.06,
"c": 64.11,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.72932],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.030,1.000],
"number_observations": 1218883,
"number_observations_unique": 82358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,1.000],
"number_observations": 60806,
"number_observations_unique": 4108,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.376
},
{
"type": "R(meas)",
"value": 1.425
},
{
"type": "R(pim)",
"value": 0.368
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.678
}
]
},
{
"resolution_limits": [23.030,5.390],
"number_observations": 6929,
"number_observations_unique": 579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 45.200
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}