Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47801adc35d13ca733a11b8fc7a62aa6",
"space_group_name": "P -3",
"unit_cell": {
"a": 24.72,
"b": 24.72,
"c": 19.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.77490],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.41,0.950],
"number_observations_unique": 7972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 8.440
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 2.865
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [0.970,0.950],
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.122
},
{
"type": "R(meas)",
"value": 1.398
},
{
"type": "I/SigI",
"value": 1.160
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.531
},
{
"type": "CC(1/2)",
"value": 0.393
}
]
},
{
"resolution_limits": [1.000,0.970],
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.949
},
{
"type": "R(meas)",
"value": 1.175
},
{
"type": "I/SigI",
"value": 1.420
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.699
},
{
"type": "CC(1/2)",
"value": 0.695
}
]
},
{
"resolution_limits": [1.030,1.000],
"number_observations_unique": 567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.589
},
{
"type": "R(meas)",
"value": 0.733
},
{
"type": "I/SigI",
"value": 2.150
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 2.550
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
},
{
"resolution_limits": [1.060,1.030],
"number_observations_unique": 572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "R(meas)",
"value": 0.542
},
{
"type": "I/SigI",
"value": 3.080
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.673
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [1.100,1.060],
"number_observations_unique": 538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 4.660
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.825
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [1.130,1.100],
"number_observations_unique": 518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 5.210
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.884
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [1.180,1.130],
"number_observations_unique": 522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 6.020
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 2.895
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.230,1.180],
"number_observations_unique": 462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 6.660
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 2.762
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [1.280,1.230],
"number_observations_unique": 452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 7.870
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.648
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.340,1.280],
"number_observations_unique": 433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 9.110
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.092
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.420,1.340],
"number_observations_unique": 428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 11.330
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.014
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.500,1.420],
"number_observations_unique": 387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 13.040
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.054
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.600,1.500],
"number_observations_unique": 348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 14.620
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.730,1.600],
"number_observations_unique": 319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 14.020
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 2.824
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.900,1.730],
"number_observations_unique": 310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 18.070
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 3.165
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.120,1.900],
"number_observations_unique": 287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.282
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.450,2.120],
"number_observations_unique": 232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 19.380
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 3.220
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.000,2.450],
"number_observations_unique": 188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 20.680
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 3.213
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.250,3.000],
"number_observations_unique": 151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 21.140
},
{
"type": "Completeness",
"value": 83.000
},
{
"type": "Redundancy",
"value": 3.066
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [21.41,4.250],
"number_observations_unique": 78,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 23.320
},
{
"type": "Completeness",
"value": 82.100
},
{
"type": "Redundancy",
"value": 3.667
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}