Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd6614eaf679dac031d614de509bf183",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 53.447,
"b": 53.447,
"c": 192.604,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.900,1.400],
"number_observations": 619071,
"number_observations_unique": 55917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.400],
"number_observations": 61965,
"number_observations_unique": 5594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.652
},
{
"type": "R(meas)",
"value": 0.681
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [18.900,5.240],
"number_observations": 12627,
"number_observations_unique": 1194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 40.300
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}