Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e2f5f913c24d482afad2e73612256492",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 80.282,
"b": 89.943,
"c": 92.195,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.28400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [89.940,2.100],
"number_observations": 129767,
"number_observations_unique": 36578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 7756,
"number_observations_unique": 2507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.908
},
{
"type": "R(meas)",
"value": 1.075
},
{
"type": "R(pim)",
"value": 0.561
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 79.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.667
}
]
},
{
"resolution_limits": [89.940,8.900],
"number_observations": 1755,
"number_observations_unique": 523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
}
]
}