Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5bbff9a8d59304fa514f9843089e7a87",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 87.79,
"b": 71.38,
"c": 103.25,
"alpha": 90.00,
"beta": 101.97,
"gamma": 90.00
},
"wavelengths": [0.87310],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.11,1.75],
"number_observations_unique": 125507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 5.67
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 5.85
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
"refln_shells": [
{
"resolution_limits": [1.8,1.75],
"number_observations_unique": 9290,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.227
},
{
"type": "R(meas)",
"value": 2.464
},
{
"type": "CC(1/2)",
"value": 0.239
}
]
},
{
"resolution_limits": [1.84,1.80],
"number_observations_unique": 8954,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.779
},
{
"type": "R(meas)",
"value": 1.964
},
{
"type": "CC(1/2)",
"value": 0.353
}
]
},
{
"resolution_limits": [1.9,1.84],
"number_observations_unique": 8778,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.426
},
{
"type": "R(meas)",
"value": 1.572
},
{
"type": "CC(1/2)",
"value": 0.473
}
]
},
{
"resolution_limits": [1.96,1.90],
"number_observations_unique": 8528,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.206
},
{
"type": "R(meas)",
"value": 1.327
},
{
"type": "CC(1/2)",
"value": 0.564
}
]
},
{
"resolution_limits": [2.02,1.96],
"number_observations_unique": 8262,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.031
},
{
"type": "R(meas)",
"value": 1.134
},
{
"type": "CC(1/2)",
"value": 0.639
}
]
},
{
"resolution_limits": [2.09,2.02],
"number_observations_unique": 8026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.811
},
{
"type": "R(meas)",
"value": 0.891
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [2.17,2.09],
"number_observations_unique": 7713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.671
},
{
"type": "R(meas)",
"value": 0.736
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [2.26,2.17],
"number_observations_unique": 7426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.564
},
{
"type": "R(meas)",
"value": 0.618
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [2.36,2.26],
"number_observations_unique": 7126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "R(meas)",
"value": 0.512
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [2.47,2.36],
"number_observations_unique": 6801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.409
},
{
"type": "R(meas)",
"value": 0.448
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [2.61,2.47],
"number_observations_unique": 6494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "R(meas)",
"value": 0.397
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [2.77,2.61],
"number_observations_unique": 6151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [2.96,2.77],
"number_observations_unique": 5786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [3.2,2.96],
"number_observations_unique": 5359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.5,3.20],
"number_observations_unique": 4963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.91,3.50],
"number_observations_unique": 4463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [4.52,3.91],
"number_observations_unique": 3974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [5.53,4.52],
"number_observations_unique": 3358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [7.83,5.53],
"number_observations_unique": 2626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [48.11,7.83],
"number_observations_unique": 1429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}