Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4f6164d535fdb13495d1a85f9613bcfc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.909,
"b": 143.583,
"c": 60.580,
"alpha": 90.00,
"beta": 114.76,
"gamma": 90.00
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.860,1.770],
"number_observations": 597759,
"number_observations_unique": 88457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations": 28121,
"number_observations_unique": 4499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "R(meas)",
"value": 0.351
},
{
"type": "R(pim)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [19.860,9.530],
"number_observations": 3826,
"number_observations_unique": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 35.600
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}