Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "1d2e480e98434d3832c0671063451cf6",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.74,
"b": 83.74,
"c": 133.44,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.920,2.440],
"number_observations": 413190,
"number_observations_unique": 20763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.500,2.440],
"number_observations": 31753,
"number_observations_unique": 1507,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.407
},
{
"type": "R(meas)",
"value": 2.467
},
{
"type": "R(pim)",
"value": 0.535
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [37.920,10.910],
"number_observations": 3472,
"number_observations_unique": 274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 50.900
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}