Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b16ee1f77e4ce79fbd987768994f7898",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 44.131,
"b": 93.170,
"c": 49.493,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.580,1.800],
"number_observations": 128402,
"number_observations_unique": 9770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 7062,
"number_observations_unique": 573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.762
},
{
"type": "R(meas)",
"value": 0.795
},
{
"type": "R(pim)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [46.580,9.010],
"number_observations": 1068,
"number_observations_unique": 101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 35.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}