Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ca1f5c0f8c0ecb1f23d5320ea290d41",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.639,
"b": 94.189,
"c": 100.317,
"alpha": 90.00,
"beta": 101.63,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.830,1.400],
"number_observations": 986182,
"number_observations_unique": 227212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.400],
"number_observations": 87392,
"number_observations_unique": 22669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [19.830,5.240],
"number_observations": 21520,
"number_observations_unique": 4308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 34.200
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}