Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4f4c648f815e7ee5def69e069d521d0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 70.097,
"b": 61.970,
"c": 70.090,
"alpha": 90.0,
"beta": 113.0,
"gamma": 90.0
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.560,1.050],
"number_observations": 871672,
"number_observations_unique": 253685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 11.460
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.436
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.050],
"number_observations": 53348,
"number_observations_unique": 18068,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.423
},
{
"type": "R(meas)",
"value": 1.736
},
{
"type": "I/SigI",
"value": 0.970
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.953
},
{
"type": "CC(1/2)",
"value": 0.378
}
]
},
{
"resolution_limits": [1.110,1.080],
"number_observations": 60789,
"number_observations_unique": 18067,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.144
},
{
"type": "R(meas)",
"value": 1.360
},
{
"type": "I/SigI",
"value": 1.340
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.365
},
{
"type": "CC(1/2)",
"value": 0.544
}
]
},
{
"resolution_limits": [1.140,1.110],
"number_observations": 60388,
"number_observations_unique": 17746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.842
},
{
"type": "R(meas)",
"value": 1.000
},
{
"type": "I/SigI",
"value": 1.790
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.403
},
{
"type": "CC(1/2)",
"value": 0.668
}
]
},
{
"resolution_limits": [1.170,1.140],
"number_observations": 59682,
"number_observations_unique": 17330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.660
},
{
"type": "R(meas)",
"value": 0.781
},
{
"type": "I/SigI",
"value": 2.270
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.444
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [1.210,1.170],
"number_observations": 58215,
"number_observations_unique": 16760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "R(meas)",
"value": 0.619
},
{
"type": "I/SigI",
"value": 2.830
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.473
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
},
{
"resolution_limits": [1.250,1.210],
"number_observations": 56735,
"number_observations_unique": 16215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "R(meas)",
"value": 0.532
},
{
"type": "I/SigI",
"value": 3.260
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.499
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [1.300,1.250],
"number_observations": 54288,
"number_observations_unique": 15638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "R(meas)",
"value": 0.445
},
{
"type": "I/SigI",
"value": 3.840
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.472
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [1.350,1.300],
"number_observations": 52182,
"number_observations_unique": 15000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "R(meas)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 4.580
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.479
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.410,1.350],
"number_observations": 49976,
"number_observations_unique": 14492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 5.570
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.449
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [1.480,1.410],
"number_observations": 47608,
"number_observations_unique": 13888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 6.380
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.428
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [1.560,1.480],
"number_observations": 44927,
"number_observations_unique": 13194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 8.640
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.405
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [1.660,1.560],
"number_observations": 42887,
"number_observations_unique": 12490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 11.690
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.434
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.770,1.660],
"number_observations": 42371,
"number_observations_unique": 11745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 15.320
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.608
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.910,1.770],
"number_observations": 39064,
"number_observations_unique": 10877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 20.250
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.591
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.100,1.910],
"number_observations": 35584,
"number_observations_unique": 10010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 27.140
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.555
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.340,2.100],
"number_observations": 31914,
"number_observations_unique": 9024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 32.540
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.537
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.710,2.340],
"number_observations": 27871,
"number_observations_unique": 8029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 39.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.471
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.320,2.710],
"number_observations": 24606,
"number_observations_unique": 6843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 49.930
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.596
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.690,3.320],
"number_observations": 19282,
"number_observations_unique": 5334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 61.520
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.615
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.560,4.690],
"number_observations": 9955,
"number_observations_unique": 2935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 61.140
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.392
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}