Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "85798086fd31c2ec482028613b2fde5e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.640,
"b": 36.950,
"c": 128.921,
"alpha": 90.00,
"beta": 110.03,
"gamma": 90.00
},
"wavelengths": [1.11590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.560,1.900],
"number_observations": 180291,
"number_observations_unique": 29120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 11521,
"number_observations_unique": 1805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.747
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [60.560,9.110],
"number_observations": 2154,
"number_observations_unique": 327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 32.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}