Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "871a15f211aa7d1caf56787d2b38a22e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 145.84,
"b": 41.55,
"c": 94.64,
"alpha": 90.0,
"beta": 102.4,
"gamma": 90.0
},
"wavelengths": [1.47000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.220,2.250],
"number_observations": 91499,
"number_observations_unique": 26369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.250],
"number_observations": 12138,
"number_observations_unique": 3639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [46.220,7.120],
"number_observations": 3093,
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}