Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a1e06448b74ee7051b85a22c653c338b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 87.20,
"b": 151.73,
"c": 120.42,
"alpha": 90.00,
"beta": 105.03,
"gamma": 90.00
},
"wavelengths": [0.97945],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [75.860,3.000],
"number_observations": 295052,
"number_observations_unique": 59020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
"refln_shells": [
{
"resolution_limits": [3.080,3.000],
"number_observations": 21300,
"number_observations_unique": 4580,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.208
},
{
"type": "R(meas)",
"value": 1.369
},
{
"type": "R(pim)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.282
}
]
},
{
"resolution_limits": [75.860,13.080],
"number_observations": 3832,
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
}
]
}