Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2077cd9d427f5120623dd3df2990e9e8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 118.978,
"b": 123.292,
"c": 263.493,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.63,3.9],
"number_observations_unique": 38678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.293
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [4.07,3.9],
"number_observations_unique": 2494,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.86
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 1.009
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 15.5
},
{
"type": "CC(1/2)",
"value": 0.314
}
]
},
{
"resolution_limits": [49.620,17.650],
"number_observations_unique": 440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 15.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}