Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2ead1e74b923126884c1b885323ae9e4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.665,
"b": 52.848,
"c": 44.468,
"alpha": 90.00,
"beta": 102.97,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.930,1.310],
"number_observations": 159439,
"number_observations_unique": 54169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.310],
"number_observations": 1798,
"number_observations_unique": 1317,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.005
},
{
"type": "R(meas)",
"value": 1.378
},
{
"type": "R(pim)",
"value": 0.938
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 43.800
},
{
"type": "Redundancy",
"value": 1.400
},
{
"type": "CC(1/2)",
"value": 0.378
}
]
},
{
"resolution_limits": [54.930,7.180],
"number_observations": 1413,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}