Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "34860b86f40188bd8c8d3ba08a9e944d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.900,
"b": 58.214,
"c": 114.506,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.910,1.320],
"number_observations": 479264,
"number_observations_unique": 82200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.320],
"number_observations": 24762,
"number_observations_unique": 5956,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.175
},
{
"type": "R(meas)",
"value": 1.348
},
{
"type": "R(pim)",
"value": 0.645
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.697
}
]
},
{
"resolution_limits": [51.910,5.900],
"number_observations": 6220,
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 42.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}