Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b72e5411010e3059f3da6cd809be75d5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.677,
"b": 57.196,
"c": 115.074,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.770,1.710],
"number_observations": 241008,
"number_observations_unique": 37454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.710],
"number_observations": 15706,
"number_observations_unique": 2701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.860
},
{
"type": "R(meas)",
"value": 0.944
},
{
"type": "R(pim)",
"value": 0.384
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.768
}
]
},
{
"resolution_limits": [28.770,7.660],
"number_observations": 2917,
"number_observations_unique": 491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 67.900
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}