Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "29f15b286e456c18b7eda497fc25f08b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 78.195,
"b": 86.938,
"c": 99.494,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.07,2.9],
"number_observations_unique": 15507,
"quality_factors": [
{
"type": "I/SigI",
"value": 4.09
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.93
}
]
},
"refln_shells": [
{
"resolution_limits": [2.98,2.90],
"number_observations_unique": 1096,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.662
},
{
"type": "R(meas)",
"value": 0.976
},
{
"type": "CC(1/2)",
"value": 0.591
}
]
},
{
"resolution_limits": [3.06,2.98],
"number_observations_unique": 1100,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.3630000000000002
},
{
"type": "R(meas)",
"value": 0.8059999999999999
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
},
{
"resolution_limits": [3.15,3.06],
"number_observations_unique": 1092,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.204
},
{
"type": "R(meas)",
"value": 0.762
},
{
"type": "CC(1/2)",
"value": 0.623
}
]
},
{
"resolution_limits": [3.24,3.15],
"number_observations_unique": 1034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9640000000000001
},
{
"type": "R(meas)",
"value": 0.6579999999999999
},
{
"type": "CC(1/2)",
"value": 0.703
}
]
},
{
"resolution_limits": [3.35,3.24],
"number_observations_unique": 1011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.8859999999999999
},
{
"type": "R(meas)",
"value": 0.508
},
{
"type": "CC(1/2)",
"value": 0.769
}
]
},
{
"resolution_limits": [3.47,3.35],
"number_observations_unique": 970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "R(meas)",
"value": 0.467
},
{
"type": "CC(1/2)",
"value": 0.8490000000000001
}
]
},
{
"resolution_limits": [3.6,3.47],
"number_observations_unique": 943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.7
},
{
"type": "R(meas)",
"value": 0.45799999999999996
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [3.74,3.60],
"number_observations_unique": 927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.604
},
{
"type": "R(meas)",
"value": 0.483
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [3.91,3.74],
"number_observations_unique": 881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.465
},
{
"type": "R(meas)",
"value": 0.47700000000000004
},
{
"type": "CC(1/2)",
"value": 0.8859999999999999
}
]
},
{
"resolution_limits": [4.1,3.91],
"number_observations_unique": 840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "R(meas)",
"value": 0.433
},
{
"type": "CC(1/2)",
"value": 0.9229999999999999
}
]
},
{
"resolution_limits": [4.32,4.10],
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [4.59,4.32],
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [4.9,4.59],
"number_observations_unique": 729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "CC(1/2)",
"value": 0.91
}
]
},
{
"resolution_limits": [5.29,4.90],
"number_observations_unique": 667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "R(meas)",
"value": 0.10300000000000001
},
{
"type": "CC(1/2)",
"value": 0.8959999999999999
}
]
},
{
"resolution_limits": [5.8,5.29],
"number_observations_unique": 622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "CC(1/2)",
"value": 0.899
}
]
},
{
"resolution_limits": [6.48,5.80],
"number_observations_unique": 558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [7.49,6.48],
"number_observations_unique": 509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "CC(1/2)",
"value": 0.9620000000000001
}
]
},
{
"resolution_limits": [9.17,7.49],
"number_observations_unique": 434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [12.97,9.17],
"number_observations_unique": 352,
"quality_factors": [
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [13.5,12.97],
"number_observations_unique": 187,
"quality_factors": [
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}