Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c8ea13a2a50bb1802e794dbc30d56c61",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 103.940,
"b": 64.431,
"c": 182.693,
"alpha": 90.00,
"beta": 90.88,
"gamma": 90.00
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.930,1.950],
"number_observations": 195348,
"number_observations_unique": 67457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "R(pim)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 3.635
},
{
"type": "Completeness",
"value": 76.4
},
{
"type": "Redundancy",
"value": 2.96
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
"refln_shells": [
{
"resolution_limits": [2.036,1.950],
"number_observations": 7257,
"number_observations_unique": 3374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.752
},
{
"type": "R(meas)",
"value": 0.970
},
{
"type": "R(pim)",
"value": 0.604
},
{
"type": "I/SigI",
"value": 1.286
},
{
"type": "Completeness",
"value": 31.25
},
{
"type": "Redundancy",
"value": 2.31
},
{
"type": "CC(1/2)",
"value": 0.453
}
]
},
{
"resolution_limits": [52.930,5.839],
"number_observations": 9640,
"number_observations_unique": 3373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 6.320
},
{
"type": "Completeness",
"value": 98.45
},
{
"type": "Redundancy",
"value": 2.92
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}