Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ee0aab2e10fdaffdfa0d40ac4aadd96",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 97.292,
"b": 142.801,
"c": 168.350,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.650,2.876],
"number_observations_unique": 54014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.960,2.880],
"number_observations": 31970,
"number_observations_unique": 4363,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.424
},
{
"type": "R(meas)",
"value": 2.609
},
{
"type": "R(pim)",
"value": 0.952
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.370
}
]
},
{
"resolution_limits": [48.650,12.200],
"number_observations": 4742,
"number_observations_unique": 768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 44.300
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}