Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d887ddbc12b603d981306c81e3bde146",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.74,
"b": 45.45,
"c": 83.50,
"alpha": 90.00,
"beta": 102.05,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.830,1.930],
"number_observations": 115664,
"number_observations_unique": 33999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations": 8357,
"number_observations_unique": 2506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.699
},
{
"type": "R(meas)",
"value": 0.837
},
{
"type": "R(pim)",
"value": 0.453
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [40.830,8.630],
"number_observations": 1384,
"number_observations_unique": 414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}