Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "330f29fc200ae8c0c941e7738aabfc55",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 90.908,
"b": 90.908,
"c": 123.077,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.050],
"number_observations_unique": 37082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.12,2.05],
"number_observations_unique": 3424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.902
},
{
"type": "Completeness",
"value": 92.50
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [2.21,2.12],
"number_observations_unique": 3575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.713
},
{
"type": "Completeness",
"value": 97.50
},
{
"type": "Redundancy",
"value": 7.90
}
]
},
{
"resolution_limits": [2.31,2.21],
"number_observations_unique": 3683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [2.43,2.31],
"number_observations_unique": 3710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [2.58,2.43],
"number_observations_unique": 3697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 9.70
}
]
},
{
"resolution_limits": [2.78,2.58],
"number_observations_unique": 3739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 9.70
}
]
},
{
"resolution_limits": [3.06,2.78],
"number_observations_unique": 3728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [3.51,3.06],
"number_observations_unique": 3772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.50
}
]
},
{
"resolution_limits": [4.42,3.51],
"number_observations_unique": 3789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.40
}
]
},
{
"resolution_limits": [50.00,4.42],
"number_observations_unique": 3965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 11.10
}
]
}
]
}