Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70fbb8970e9f420366d9c53fbeb35884",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 165.557,
"b": 170.512,
"c": 102.235,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.330,2.790],
"number_observations": 269604,
"number_observations_unique": 36351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.910,2.790],
"number_observations": 31561,
"number_observations_unique": 4329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.992
},
{
"type": "R(meas)",
"value": 1.067
},
{
"type": "R(pim)",
"value": 0.390
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [64.330,9.660],
"number_observations": 6337,
"number_observations_unique": 951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 73.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}