Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d061070209f3db6208e4d6a9ce5b95e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 36.386,
"b": 95.339,
"c": 72.999,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.78718],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.500,1.050],
"number_observations": 1166551,
"number_observations_unique": 59570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.070,1.050],
"number_observations_unique": 2896,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.761
},
{
"type": "R(meas)",
"value": 1.812
},
{
"type": "R(pim)",
"value": 0.421
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 18.200
},
{
"type": "CC(1/2)",
"value": 0.791
}
]
},
{
"resolution_limits": [36.500,5.750],
"number_observations_unique": 429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}