Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2eb12fe358857727471cf87456d6790",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 111.251,
"b": 111.251,
"c": 193.802,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.83],
"number_observations": 805788,
"number_observations_unique": 107447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.5
}
]
},
"refln_shells": [
{
"resolution_limits": [1.86,1.83],
"number_observations_unique": 5355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.880
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.5
}
]
},
{
"resolution_limits": [1.90,1.86],
"number_observations_unique": 5373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.766
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [1.94,1.90],
"number_observations_unique": 5404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.591
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [1.98,1.94],
"number_observations_unique": 5408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [2.03,1.98],
"number_observations_unique": 5401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [2.08,2.03],
"number_observations_unique": 5374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [2.13,2.08],
"number_observations_unique": 5399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [2.20,2.13],
"number_observations_unique": 5371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [2.27,2.20],
"number_observations_unique": 5420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [2.35,2.27],
"number_observations_unique": 5361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [2.44,2.35],
"number_observations_unique": 5415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [2.55,2.44],
"number_observations_unique": 5376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.7
}
]
},
{
"resolution_limits": [2.69,2.55],
"number_observations_unique": 5384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.7
}
]
},
{
"resolution_limits": [2.86,2.69],
"number_observations_unique": 5422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [3.08,2.86],
"number_observations_unique": 5374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [3.39,3.08],
"number_observations_unique": 5408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [3.88,3.39],
"number_observations_unique": 5384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [4.88,3.88],
"number_observations_unique": 5398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [50.00,4.88],
"number_observations_unique": 5391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 7.4
}
]
}
]
}