Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4bfc9ca6ed0581de2e86ee4df038235",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.984,
"b": 96.320,
"c": 57.720,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.860,2.000],
"number_observations": 97202,
"number_observations_unique": 15661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 5224,
"number_observations_unique": 985,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.014
},
{
"type": "R(meas)",
"value": 1.119
},
{
"type": "R(pim)",
"value": 0.465
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.629
}
]
},
{
"resolution_limits": [28.860,8.940],
"number_observations": 1249,
"number_observations_unique": 206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}