Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ee86e26c6a4ab59d93557b5f6b800338",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.598,
"b": 112.444,
"c": 62.555,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.220,1.400],
"number_observations_unique": 57549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 5448,
"number_observations_unique": 2797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [56.220,7.670],
"number_observations": 679,
"number_observations_unique": 408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}