Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bde542913c508f69f815af56590a3967",
"space_group_name": "P 43",
"unit_cell": {
"a": 54.52,
"b": 54.52,
"c": 75.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96871],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.550,1.540],
"number_observations": 215120,
"number_observations_unique": 32684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.540],
"number_observations": 15927,
"number_observations_unique": 2404,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.558
},
{
"type": "R(meas)",
"value": 1.691
},
{
"type": "R(pim)",
"value": 0.654
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.453
}
]
},
{
"resolution_limits": [38.550,6.890],
"number_observations": 2427,
"number_observations_unique": 388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 52.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}