Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "818f6ac9e8556d6ef17523065351f3cd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.22,
"b": 57.29,
"c": 115.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.590,1.400],
"number_observations": 443414,
"number_observations_unique": 68864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.400],
"number_observations": 27281,
"number_observations_unique": 5019,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.586
},
{
"type": "R(meas)",
"value": 1.759
},
{
"type": "R(pim)",
"value": 0.748
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.457
}
]
},
{
"resolution_limits": [36.590,6.260],
"number_observations": 5330,
"number_observations_unique": 886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 26.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}