Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d6076010661c3d927686777186b50ed9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 32.928,
"b": 38.564,
"c": 41.985,
"alpha": 90.0,
"beta": 100.1,
"gamma": 90.0
},
"wavelengths": [0.91970],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.960],
"number_observations_unique": 13933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.03,1.96],
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 81.90
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.11,2.03],
"number_observations_unique": 717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [2.21,2.11],
"number_observations_unique": 736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 5.40
}
]
},
{
"resolution_limits": [2.32,2.21],
"number_observations_unique": 746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.00
}
]
},
{
"resolution_limits": [2.47,2.32],
"number_observations_unique": 743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [2.66,2.47],
"number_observations_unique": 733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.40
}
]
},
{
"resolution_limits": [2.93,2.66],
"number_observations_unique": 751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.40
}
]
},
{
"resolution_limits": [3.35,2.93],
"number_observations_unique": 753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.40
}
]
},
{
"resolution_limits": [4.22,3.35],
"number_observations_unique": 756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 10.40
}
]
},
{
"resolution_limits": [50.00,4.22],
"number_observations_unique": 775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
}
]
}