Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "58b77996faaa9f089fe4e3e34b079cea",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.458,
"b": 95.458,
"c": 45.721,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.490,1.260],
"number_observations": 576125,
"number_observations_unique": 54627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.280,1.260],
"number_observations": 6431,
"number_observations_unique": 2310,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.107
},
{
"type": "R(meas)",
"value": 1.373
},
{
"type": "R(pim)",
"value": 0.785
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 80.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.322
}
]
},
{
"resolution_limits": [67.490,6.780],
"number_observations": 4902,
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 94.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}