Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a9351785441785fd65f1cfabcc635cc0",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 94.237,
"b": 151.884,
"c": 85.635,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.250],
"number_observations_unique": 56848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.33,2.25],
"number_observations_unique": 5292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.606
},
{
"type": "Completeness",
"value": 91.50
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [2.42,2.33],
"number_observations_unique": 5342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "Completeness",
"value": 92.50
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.53,2.42],
"number_observations_unique": 5458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "Completeness",
"value": 93.80
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [2.67,2.53],
"number_observations_unique": 5530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "Completeness",
"value": 95.10
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [2.83,2.67],
"number_observations_unique": 5637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "Completeness",
"value": 97.10
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [3.05,2.83],
"number_observations_unique": 5769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [3.36,3.05],
"number_observations_unique": 5834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [3.85,3.36],
"number_observations_unique": 5862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 6.40
}
]
},
{
"resolution_limits": [4.85,3.85],
"number_observations_unique": 5947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [50.00,4.85],
"number_observations_unique": 6177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 7.80
}
]
}
]
}