Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7e4be9ec93166c47d636234868e5e806",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.497,
"b": 56.626,
"c": 101.707,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.090,1.640],
"number_observations": 262422,
"number_observations_unique": 39199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.640],
"number_observations": 16087,
"number_observations_unique": 2635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.837
},
{
"type": "R(meas)",
"value": 0.916
},
{
"type": "R(pim)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
{
"resolution_limits": [29.090,7.330],
"number_observations": 3212,
"number_observations_unique": 516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 73.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}