Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72e36025a652bc66232b5630fffe5f40",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.375,
"b": 71.375,
"c": 150.226,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.380,1.220],
"number_observations": 1107268,
"number_observations_unique": 108968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.240,1.220],
"number_observations": 6937,
"number_observations_unique": 3156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "R(meas)",
"value": 0.735
},
{
"type": "R(pim)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 56.500
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.593
}
]
},
{
"resolution_limits": [29.380,6.680],
"number_observations": 9478,
"number_observations_unique": 845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 47.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}