Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "34f65c990832905ad8c45adb786b2816",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 146.624,
"b": 146.624,
"c": 256.495,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.50],
"number_observations": 1990895,
"number_observations_unique": 110587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 18.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.54,2.50],
"number_observations_unique": 5435,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.315
},
{
"type": "R(meas)",
"value": 1.355
},
{
"type": "R(pim)",
"value": 0.321
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 16.3
},
{
"type": "CC(1/2)",
"value": 0.781
}
]
},
{
"resolution_limits": [2.59,2.54],
"number_observations_unique": 5423,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.206
},
{
"type": "R(meas)",
"value": 1.241
},
{
"type": "R(pim)",
"value": 0.289
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 16.9
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [2.64,2.59],
"number_observations_unique": 5451,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.078
},
{
"type": "R(meas)",
"value": 1.109
},
{
"type": "R(pim)",
"value": 0.256
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 17.2
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [2.69,2.64],
"number_observations_unique": 5450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.913
},
{
"type": "R(meas)",
"value": 0.939
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 17.2
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [2.75,2.69],
"number_observations_unique": 5476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.823
},
{
"type": "R(meas)",
"value": 0.848
},
{
"type": "R(pim)",
"value": 0.200
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 16.6
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [2.82,2.75],
"number_observations_unique": 5480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.747
},
{
"type": "R(meas)",
"value": 0.768
},
{
"type": "R(pim)",
"value": 0.176
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 17.7
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [2.89,2.82],
"number_observations_unique": 5493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.636
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 17.3
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [2.96,2.89],
"number_observations_unique": 5467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.536
},
{
"type": "R(meas)",
"value": 0.551
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 17.5
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [3.05,2.96],
"number_observations_unique": 5497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "R(meas)",
"value": 0.465
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 18.2
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.15,3.05],
"number_observations_unique": 5460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.382
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.1
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.26,3.15],
"number_observations_unique": 5563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 17.8
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.39,3.26],
"number_observations_unique": 5508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 17.6
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.55,3.39],
"number_observations_unique": 5515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.3
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.73,3.55],
"number_observations_unique": 5518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.2
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.97,3.73],
"number_observations_unique": 5573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.27,3.97],
"number_observations_unique": 5529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.70,4.27],
"number_observations_unique": 5595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.38,4.70],
"number_observations_unique": 5609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.78,5.38],
"number_observations_unique": 5643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,6.78],
"number_observations_unique": 5902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}