Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "547ff9b72c0bf0d47fd564e4a743ddbc",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 224.339,
"b": 224.339,
"c": 114.525,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [112.42,2.600],
"number_observations_unique": 44990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.700,2.600],
"number_observations": 122935,
"number_observations_unique": 4617,
"quality_factors": [
{
"type": "R(merge)",
"value": 8.318
},
{
"type": "R(meas)",
"value": 8.479
},
{
"type": "R(pim)",
"value": 1.632
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 26.600
},
{
"type": "CC(1/2)",
"value": 0.425
}
]
},
{
"resolution_limits": [50.180,9.720],
"number_observations": 22494,
"number_observations_unique": 959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 58.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 23.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}