Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c63ab72e95d7936d1f9e1b191f306de0",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.566,
"b": 60.820,
"c": 82.439,
"alpha": 89.50,
"beta": 88.34,
"gamma": 62.54
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.020,3.000],
"number_observations": 45894,
"number_observations_unique": 19896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations_unique": 3147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.569
},
{
"type": "R(meas)",
"value": 0.761
},
{
"type": "R(pim)",
"value": 0.501
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.492
}
]
},
{
"resolution_limits": [29.020,9.000],
"number_observations_unique": 736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}