Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c1e8e54b321783420a1ccaf062a23f40",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.368,
"b": 97.187,
"c": 58.172,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.090,1.690],
"number_observations": 168597,
"number_observations_unique": 26388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.690],
"number_observations": 5753,
"number_observations_unique": 1091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.783
},
{
"type": "R(meas)",
"value": 0.864
},
{
"type": "R(pim)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 80.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [29.090,9.080],
"number_observations": 1232,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 46.300
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}