Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "672ec9e31e828d5a57144aedc3781ee2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.65,
"b": 60.01,
"c": 101.66,
"alpha": 90.000,
"beta": 92.993,
"gamma": 90.000
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.500],
"number_observations_unique": 121439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 18.620
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.088
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations_unique": 8465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "R(meas)",
"value": 0.614
},
{
"type": "I/SigI",
"value": 2.230
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.355
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [1.580,1.540],
"number_observations_unique": 8687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "R(meas)",
"value": 0.539
},
{
"type": "I/SigI",
"value": 2.980
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.963
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [1.630,1.580],
"number_observations_unique": 8476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.432
},
{
"type": "I/SigI",
"value": 3.870
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.182
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations_unique": 8252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 4.960
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.199
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations_unique": 7966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 6.230
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.188
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations_unique": 7750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 7.860
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.201
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [1.860,1.790],
"number_observations_unique": 7535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 10.260
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.201
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.940,1.860],
"number_observations_unique": 7212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 12.960
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.194
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.020,1.940],
"number_observations_unique": 6910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 16.980
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.188
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.120,2.020],
"number_observations_unique": 6702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.184
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.240,2.120],
"number_observations_unique": 6283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 25.450
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.176
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.370,2.240],
"number_observations_unique": 5958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 28.680
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.165
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.540,2.370],
"number_observations_unique": 5630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 31.630
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.146
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations_unique": 5251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 34.750
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.129
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.000,2.740],
"number_observations_unique": 4830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 38.780
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.098
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.350,3.000],
"number_observations_unique": 4385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 42.820
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.069
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.870,3.350],
"number_observations_unique": 3841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 46.880
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.059
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.740,3.870],
"number_observations_unique": 3297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 49.060
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.062
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.710,4.740],
"number_observations_unique": 2575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 48.890
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.052
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.0,6.710],
"number_observations_unique": 1434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 49.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.875
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}