Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7909224d851b5c602f3c60948b32ccd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 99.988,
"b": 71.380,
"c": 169.290,
"alpha": 90.00,
"beta": 100.94,
"gamma": 90.00
},
"wavelengths": [0.97650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [98.170,1.980],
"number_observations": 368584,
"number_observations_unique": 155511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.980],
"number_observations": 19012,
"number_observations_unique": 7709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "R(meas)",
"value": 0.466
},
{
"type": "R(pim)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
},
{
"resolution_limits": [98.170,10.820],
"number_observations": 2653,
"number_observations_unique": 1040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.698
}
]
}
]
}