Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f6d4a0cb864ca788aca2e31d97e63be5",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.245,
"b": 50.771,
"c": 92.686,
"alpha": 92.32,
"beta": 102.96,
"gamma": 109.31
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.020,1.190],
"number_observations": 3069934,
"number_observations_unique": 227252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 88319,
"number_observations_unique": 8585,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.260
},
{
"type": "R(meas)",
"value": 1.326
},
{
"type": "R(pim)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 74.500
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [38.020,6.540],
"number_observations": 22296,
"number_observations_unique": 1414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 15.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}