Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "41da0a5d110669e61290c3bbf3990b94",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 27.669,
"b": 39.304,
"c": 83.097,
"alpha": 90.000,
"beta": 95.045,
"gamma": 90.000
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.87,1.55],
"number_observations_unique": 18483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 21.1
},
{
"type": "Completeness",
"value": 73.27
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [35.51,4.21],
"number_observations_unique": 2123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 45.8
},
{
"type": "Completeness",
"value": 99.57
},
{
"type": "Redundancy",
"value": 3.08
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.21,3.34],
"number_observations_unique": 2001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 43.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.06
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.34,2.92],
"number_observations_unique": 660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 37.6
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.12
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.92,2.65],
"number_observations_unique": 652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 31.9
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.10
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.65,2.46],
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 28.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.11
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.46,2.32],
"number_observations_unique": 647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 25.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.07
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.32,2.20],
"number_observations_unique": 656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 24.1
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.07
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.20,2.11],
"number_observations_unique": 655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 20.7
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.05
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.11,2.02],
"number_observations_unique": 647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 17.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.02,1.95],
"number_observations_unique": 625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.07
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [1.95,1.89],
"number_observations_unique": 659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 12.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.07
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [1.89,1.84],
"number_observations_unique": 636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.07
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [1.84,1.79],
"number_observations_unique": 641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 98.62
},
{
"type": "Redundancy",
"value": 2.68
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [1.79,1.75],
"number_observations_unique": 524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 79.76
},
{
"type": "Redundancy",
"value": 2.37
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [1.75,1.71],
"number_observations_unique": 404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 63.12
},
{
"type": "Redundancy",
"value": 2.22
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [1.71,1.67],
"number_observations_unique": 338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 52.32
},
{
"type": "Redundancy",
"value": 2.07
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [1.67,1.64],
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.232
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 37.82
},
{
"type": "Redundancy",
"value": 1.86
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [1.64,1.61],
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 30.72
},
{
"type": "Redundancy",
"value": 1.70
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [1.61,1.58],
"number_observations_unique": 107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.310
},
{
"type": "R(pim)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 16.14
},
{
"type": "Redundancy",
"value": 1.47
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [1.58,1.55],
"number_observations_unique": 34,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 5.45
},
{
"type": "Redundancy",
"value": 1.09
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
}
]
}