Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d9794c4fb040a67536eb18100592edb1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.281,
"b": 83.730,
"c": 58.922,
"alpha": 90.00,
"beta": 108.42,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.700,1.450],
"number_observations": 424777,
"number_observations_unique": 77522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 3140,
"number_observations_unique": 1595,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.311
},
{
"type": "R(meas)",
"value": 1.736
},
{
"type": "R(pim)",
"value": 1.122
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 35.700
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.313
}
]
},
{
"resolution_limits": [83.700,7.940],
"number_observations": 3730,
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 75.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}