Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "893dd0909e957c995908b149e8b5b922",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 34.736,
"b": 106.174,
"c": 76.209,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.77120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.560,2.500],
"number_observations_unique": 5119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 3604,
"number_observations_unique": 521,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.176
},
{
"type": "R(meas)",
"value": 1.272
},
{
"type": "R(pim)",
"value": 0.473
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [43.560,9.020],
"number_observations": 1534,
"number_observations_unique": 135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 32.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}