Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9708b89ebdbb87226a59e0a673d2d33",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 66.830,
"b": 42.866,
"c": 168.994,
"alpha": 90.00,
"beta": 100.67,
"gamma": 90.00
},
"wavelengths": [0.97180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.810,2.000],
"number_observations": 208427,
"number_observations_unique": 31810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 15460,
"number_observations_unique": 2338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.953
},
{
"type": "R(meas)",
"value": 1.035
},
{
"type": "R(pim)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.778
}
]
},
{
"resolution_limits": [46.810,8.940],
"number_observations": 2042,
"number_observations_unique": 380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 36.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}