Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "851caa86440fd355c748bee9f4725dba",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 62.444,
"b": 62.444,
"c": 74.999,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.15,1.170],
"number_observations": 629706,
"number_observations_unique": 50559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 26.830
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.455
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.170],
"number_observations": 27857,
"number_observations_unique": 3550,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.130
},
{
"type": "R(meas)",
"value": 1.210
},
{
"type": "I/SigI",
"value": 1.650
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 7.847
},
{
"type": "CC(1/2)",
"value": 0.567
}
]
},
{
"resolution_limits": [1.230,1.200],
"number_observations": 47305,
"number_observations_unique": 3592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.962
},
{
"type": "R(meas)",
"value": 1.001
},
{
"type": "I/SigI",
"value": 2.690
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.170
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [1.270,1.230],
"number_observations": 45885,
"number_observations_unique": 3513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.762
},
{
"type": "R(meas)",
"value": 0.793
},
{
"type": "I/SigI",
"value": 3.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.061
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [1.310,1.270],
"number_observations": 43026,
"number_observations_unique": 3374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "R(meas)",
"value": 0.656
},
{
"type": "I/SigI",
"value": 4.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.752
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [1.350,1.310],
"number_observations": 40659,
"number_observations_unique": 3294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.465
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 5.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.343
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.400,1.350],
"number_observations": 43085,
"number_observations_unique": 3211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "R(meas)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 7.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.418
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [1.450,1.400],
"number_observations": 41340,
"number_observations_unique": 3090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 9.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.379
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.510,1.450],
"number_observations": 38856,
"number_observations_unique": 2964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 12.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.109
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.580,1.510],
"number_observations": 35705,
"number_observations_unique": 2875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 17.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.419
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.650,1.580],
"number_observations": 36146,
"number_observations_unique": 2757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 22.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.111
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.740,1.650],
"number_observations": 35042,
"number_observations_unique": 2616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 29.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.395
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.850,1.740],
"number_observations": 32685,
"number_observations_unique": 2467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 39.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.249
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.980,1.850],
"number_observations": 29534,
"number_observations_unique": 2346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 49.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.589
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.140,1.980],
"number_observations": 26729,
"number_observations_unique": 2176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 59.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.284
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.340,2.140],
"number_observations": 26336,
"number_observations_unique": 2027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 68.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.993
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.620,2.340],
"number_observations": 23095,
"number_observations_unique": 1837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 73.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.572
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.020,2.620],
"number_observations": 18348,
"number_observations_unique": 1648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 74.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.133
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [3.700,3.020],
"number_observations": 17413,
"number_observations_unique": 1419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 85.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.271
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [5.230,3.700],
"number_observations": 13154,
"number_observations_unique": 1117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 87.180
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.776
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [44.150,5.230],
"number_observations": 7506,
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 82.640
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.942
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}