Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a3b159be58fe9ce418b9b161e6f6906b",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 115.41,
"b": 119.59,
"c": 120.17,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.90,2.58],
"number_observations_unique": 26501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4
},
{
"type": "R(meas)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 9.32
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.65,2.58],
"number_observations_unique": 2016,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.085
},
{
"type": "R(meas)",
"value": 3.204
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "CC(1/2)",
"value": 0.712
}
]
},
{
"resolution_limits": [2.72,2.65],
"number_observations_unique": 1808,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.469
},
{
"type": "R(meas)",
"value": 2.566
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "CC(1/2)",
"value": 0.762
}
]
},
{
"resolution_limits": [2.79,2.72],
"number_observations_unique": 1649,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.267
},
{
"type": "R(meas)",
"value": 2.358
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [2.87,2.79],
"number_observations_unique": 1678,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.817
},
{
"type": "R(meas)",
"value": 1.892
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [2.95,2.87],
"number_observations_unique": 1500,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.459
},
{
"type": "R(meas)",
"value": 1.523
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "CC(1/2)",
"value": 0.9
}
]
},
{
"resolution_limits": [3.04,2.95],
"number_observations_unique": 1508,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.264
},
{
"type": "R(meas)",
"value": 1.314
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "CC(1/2)",
"value": 0.93
}
]
},
{
"resolution_limits": [3.14,3.04],
"number_observations_unique": 1506,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.069
},
{
"type": "R(meas)",
"value": 1.11
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [3.24,3.14],
"number_observations_unique": 1294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.835
},
{
"type": "R(meas)",
"value": 0.868
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [3.34,3.24],
"number_observations_unique": 1170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.831
},
{
"type": "R(meas)",
"value": 0.863
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [3.46,3.34],
"number_observations_unique": 1214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.673
},
{
"type": "R(meas)",
"value": 0.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.58,3.46],
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.568
},
{
"type": "R(meas)",
"value": 0.59
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.71,3.58],
"number_observations_unique": 1013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.44
},
{
"type": "R(meas)",
"value": 0.458
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.85,3.71],
"number_observations_unique": 947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "R(meas)",
"value": 0.402
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.01,3.85],
"number_observations_unique": 916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.327
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.17,4.01],
"number_observations_unique": 778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.35,4.17],
"number_observations_unique": 742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "R(meas)",
"value": 0.33
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.55,4.35],
"number_observations_unique": 702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.276
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.76,4.55],
"number_observations_unique": 629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [5.0,4.76],
"number_observations_unique": 590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [30.00,5.00],
"number_observations_unique": 3787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}