Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fea4c1057e9ff8963600f2bc11640e9a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.985,
"b": 27.528,
"c": 56.419,
"alpha": 90.00,
"beta": 100.15,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.770,1.190],
"number_observations": 174795,
"number_observations_unique": 33703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 31.300
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 592,
"number_observations_unique": 445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 22.900
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [27.770,6.520],
"number_observations": 1503,
"number_observations_unique": 277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 55.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
}
]
}