Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "596e7b8a3a3d69da77f4c8c236b99991",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.795,
"b": 88.795,
"c": 39.482,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88570],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.400,0.980],
"number_observations": 1098822,
"number_observations_unique": 175017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.000,0.980],
"number_observations": 29264,
"number_observations_unique": 7763,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.515
},
{
"type": "R(meas)",
"value": 1.757
},
{
"type": "R(pim)",
"value": 0.867
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.486
}
]
},
{
"resolution_limits": [44.400,5.370],
"number_observations": 7974,
"number_observations_unique": 1164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 61.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}