Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72e18cf99a68faad7ae7a9140fad8f11",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 103.57,
"b": 104.50,
"c": 221.61,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.970,2.40],
"number_observations_unique": 94681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 100.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.46,2.40],
"number_observations": 57063,
"number_observations_unique": 6942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.674
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.53,2.46],
"number_observations": 55384,
"number_observations_unique": 6748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.651
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.60,2.53],
"number_observations": 53930,
"number_observations_unique": 6557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.580
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.68,2.60],
"number_observations": 52479,
"number_observations_unique": 6384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.542
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.77,2.68],
"number_observations": 50886,
"number_observations_unique": 6188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.87,2.77],
"number_observations": 49222,
"number_observations_unique": 5990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.98,2.87],
"number_observations": 47571,
"number_observations_unique": 5795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.10,2.98],
"number_observations": 45662,
"number_observations_unique": 5576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.24,3.10],
"number_observations": 43830,
"number_observations_unique": 5358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.39,3.24],
"number_observations": 41537,
"number_observations_unique": 5117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 13.3
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.58,3.39],
"number_observations": 39670,
"number_observations_unique": 4915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.79,3.58],
"number_observations": 36595,
"number_observations_unique": 4616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 17.6
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [4.06,3.79],
"number_observations": 34230,
"number_observations_unique": 4354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 20.2
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [4.38,4.06],
"number_observations": 32140,
"number_observations_unique": 4079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 21.5
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [4.80,4.38],
"number_observations": 29845,
"number_observations_unique": 3778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 23.3
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [5.37,4.80],
"number_observations": 26918,
"number_observations_unique": 3410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 20.8
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [6.20,5.37],
"number_observations": 23670,
"number_observations_unique": 3044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 19.8
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [7.59,6.20],
"number_observations": 20196,
"number_observations_unique": 2598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 20.8
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [10.73,7.59],
"number_observations": 15999,
"number_observations_unique": 2048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 27.6
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [48.970,10.73],
"number_observations": 8719,
"number_observations_unique": 1184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 29.1
},
{
"type": "Completeness",
"value": 98.70
}
]
}
]
}