Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "09fb1244c3055d37dfd9a09960909d96",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 66.71,
"b": 96.67,
"c": 147.53,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.70000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.1],
"number_observations_unique": 357145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 17.52
},
{
"type": "Completeness",
"value": 93.0
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.15,1.10],
"number_observations_unique": 45383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "CC(1/2)",
"value": 0.8540000000000001
}
]
},
{
"resolution_limits": [1.2,1.15],
"number_observations_unique": 37868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "CC(1/2)",
"value": 0.9179999999999999
}
]
},
{
"resolution_limits": [1.3,1.20],
"number_observations_unique": 59511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.21100000000000002
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [1.4,1.30],
"number_observations_unique": 44162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11699999999999999
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
{
"resolution_limits": [1.5,1.40],
"number_observations_unique": 32884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [1.7,1.50],
"number_observations_unique": 43566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.9,1.70],
"number_observations_unique": 26704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.02,1.90],
"number_observations_unique": 11502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.03
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [2.15,2.02],
"number_observations_unique": 9660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022000000000000002
},
{
"type": "R(meas)",
"value": 0.027000000000000003
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [2.32,2.15],
"number_observations_unique": 9439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [2.54,2.32],
"number_observations_unique": 8796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [2.84,2.54],
"number_observations_unique": 7946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [3.28,2.84],
"number_observations_unique": 6918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.018000000000000002
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [4.0,3.28],
"number_observations_unique": 5648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013999999999999999
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
{
"resolution_limits": [10.0,4.00],
"number_observations_unique": 6716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "R(meas)",
"value": 0.013999999999999999
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
{
"resolution_limits": [50,10.00],
"number_observations_unique": 442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013000000000000001
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}