Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6ebe5b4e224fb6a67b385f6b07d07ae3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.361,
"b": 53.882,
"c": 74.605,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.68,1.100],
"number_observations": 311830,
"number_observations_unique": 53193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 19.760
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.850
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.130,1.100],
"number_observations": 12929,
"number_observations_unique": 3453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.412
},
{
"type": "R(meas)",
"value": 0.479
},
{
"type": "I/SigI",
"value": 3.170
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 3.744
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [1.160,1.130],
"number_observations": 19182,
"number_observations_unique": 3769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 4.690
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.089
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [1.190,1.160],
"number_observations": 21417,
"number_observations_unique": 3698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "R(meas)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 5.870
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.792
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [1.230,1.190],
"number_observations": 20624,
"number_observations_unique": 3604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 6.610
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.723
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.270,1.230],
"number_observations": 19964,
"number_observations_unique": 3490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "I/SigI",
"value": 7.490
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.720
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.320,1.270],
"number_observations": 21129,
"number_observations_unique": 3402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 9.270
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.211
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.370,1.320],
"number_observations": 20146,
"number_observations_unique": 3259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 11.110
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.182
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.420,1.370],
"number_observations": 18880,
"number_observations_unique": 3179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 12.450
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.939
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.480,1.420],
"number_observations": 18856,
"number_observations_unique": 3047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.188
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.560,1.480],
"number_observations": 18703,
"number_observations_unique": 2897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 20.640
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.456
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.640,1.560],
"number_observations": 17669,
"number_observations_unique": 2759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 26.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.404
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.740,1.640],
"number_observations": 16057,
"number_observations_unique": 2652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 31.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.055
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.860,1.740],
"number_observations": 15388,
"number_observations_unique": 2459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 38.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.258
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.010,1.860],
"number_observations": 15267,
"number_observations_unique": 2335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 49.490
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.538
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.200,2.010],
"number_observations": 13526,
"number_observations_unique": 2138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 55.730
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.326
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.460,2.200],
"number_observations": 10990,
"number_observations_unique": 1945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 56.450
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.650
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.840,2.460],
"number_observations": 10863,
"number_observations_unique": 1729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 65.010
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.283
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.480,2.840],
"number_observations": 9312,
"number_observations_unique": 1480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 70.670
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.292
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [4.920,3.480],
"number_observations": 6608,
"number_observations_unique": 1175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 71.080
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.624
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [43.690,4.920],
"number_observations": 4320,
"number_observations_unique": 705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 73.150
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.128
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}