Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c35472a3ef143b3f932f6cb2272692e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.90,
"b": 54.31,
"c": 45.17,
"alpha": 90.0,
"beta": 101.1,
"gamma": 90.0
},
"wavelengths": [0.97891],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.90,1.900],
"number_observations_unique": 19884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 2795,
"number_observations_unique": 1230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.313
},
{
"type": "R(pim)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [48.850,9.110],
"number_observations": 553,
"number_observations_unique": 193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}