Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "26e9f3ccf7856ec170d6ce90cc62a92a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 80.239,
"b": 87.975,
"c": 92.392,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.970,2.420],
"number_observations": 166737,
"number_observations_unique": 25406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.710,2.420],
"number_observations": 48000,
"number_observations_unique": 7105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "R(pim)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [87.970,5.420],
"number_observations": 15016,
"number_observations_unique": 2433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 82.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}