Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0fcf0f2dfce51a147285136ef6722b93",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.468,
"b": 85.031,
"c": 88.311,
"alpha": 90.00,
"beta": 130.88,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.770,1.310],
"number_observations": 742267,
"number_observations_unique": 127885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 82.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.350],
"number_observations": 20242,
"number_observations_unique": 6642,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.087
},
{
"type": "R(meas)",
"value": 1.303
},
{
"type": "R(pim)",
"value": 0.704
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 29.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.534
}
]
},
{
"resolution_limits": [66.770,4.260],
"number_observations": 33014,
"number_observations_unique": 5030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 54.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}