Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "63f141b8566bc759b081170e7cd4e9be",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 48.759,
"b": 114.195,
"c": 164.459,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.9629,1.8177],
"number_observations_unique": 41724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.820],
"number_observations": 22223,
"number_observations_unique": 2351,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.184
},
{
"type": "R(meas)",
"value": 2.313
},
{
"type": "R(pim)",
"value": 0.744
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [57.100,9.090],
"number_observations": 3948,
"number_observations_unique": 395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 46.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}