Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7dc2c18a9cc1d9d5fb6cfb96392c7cca",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 187.652,
"b": 187.652,
"c": 124.057,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.61,3.84],
"number_observations_unique": 12347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.21
},
{
"type": "I/SigI",
"value": 11.49
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 10.00
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.94,3.84],
"number_observations_unique": 515,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.676
},
{
"type": "R(meas)",
"value": 2.867
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [4.05,3.94],
"number_observations_unique": 894,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.581
},
{
"type": "R(meas)",
"value": 5.937
},
{
"type": "CC(1/2)",
"value": 0.096
}
]
},
{
"resolution_limits": [4.17,4.05],
"number_observations_unique": 881,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.179
},
{
"type": "R(meas)",
"value": 4.409
},
{
"type": "CC(1/2)",
"value": 0.144
}
]
},
{
"resolution_limits": [4.29,4.17],
"number_observations_unique": 840,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.181
},
{
"type": "R(meas)",
"value": 3.347
},
{
"type": "CC(1/2)",
"value": 0.337
}
]
},
{
"resolution_limits": [4.43,4.29],
"number_observations_unique": 828,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.918
},
{
"type": "R(meas)",
"value": 2.018
},
{
"type": "CC(1/2)",
"value": 0.563
}
]
},
{
"resolution_limits": [4.59,4.43],
"number_observations_unique": 811,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.435
},
{
"type": "R(meas)",
"value": 1.512
},
{
"type": "CC(1/2)",
"value": 0.652
}
]
},
{
"resolution_limits": [4.76,4.59],
"number_observations_unique": 761,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.082
},
{
"type": "R(meas)",
"value": 1.14
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [4.96,4.76],
"number_observations_unique": 751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.865
},
{
"type": "R(meas)",
"value": 0.912
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [5.18,4.96],
"number_observations_unique": 720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.687
},
{
"type": "R(meas)",
"value": 0.724
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [5.43,5.18],
"number_observations_unique": 685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.579
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [5.72,5.43],
"number_observations_unique": 656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "R(meas)",
"value": 0.563
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [6.07,5.72],
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "R(meas)",
"value": 0.412
},
{
"type": "CC(1/2)",
"value": 0.93
}
]
},
{
"resolution_limits": [6.49,6.07],
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.328
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [7.01,6.49],
"number_observations_unique": 547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [7.68,7.01],
"number_observations_unique": 515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [8.59,7.68],
"number_observations_unique": 472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [9.91,8.59],
"number_observations_unique": 420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
{
"resolution_limits": [12.14,9.91],
"number_observations_unique": 361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
{
"resolution_limits": [17.17,12.14],
"number_observations_unique": 301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
}
]
}