Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d249b14e1a9a20b76512d3bbfdbca7d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.258,
"b": 56.215,
"c": 101.866,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.430,1.580],
"number_observations": 251845,
"number_observations_unique": 44117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.580],
"number_observations": 31646,
"number_observations_unique": 6311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "R(meas)",
"value": 0.709
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [21.430,5.000],
"number_observations": 9713,
"number_observations_unique": 1535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 37.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}