Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a26b621a9dc807f0f22eb21636a30605",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 77.329,
"b": 77.329,
"c": 38.606,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.610,1.300],
"number_observations": 537924,
"number_observations_unique": 29331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 37.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 16690,
"number_observations_unique": 1363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.909
},
{
"type": "R(meas)",
"value": 0.949
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [38.610,7.120],
"number_observations": 3426,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 101.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}