Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c107f9dd06ecdb88779c2366633cbcd4",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 100.585,
"b": 176.895,
"c": 238.413,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.250,2.100],
"number_observations": 556847,
"number_observations_unique": 123558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 28446,
"number_observations_unique": 6073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.999
},
{
"type": "R(pim)",
"value": 0.522
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.523
}
]
},
{
"resolution_limits": [49.250,11.500],
"number_observations": 3596,
"number_observations_unique": 842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 59.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}