Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "96842c5b2c11f50031ac98749b293ddd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.535,
"b": 53.731,
"c": 74.476,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00001],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.24,1.120],
"number_observations": 301052,
"number_observations_unique": 50218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 17.740
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.040
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.120],
"number_observations": 13913,
"number_observations_unique": 3246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.721
},
{
"type": "R(meas)",
"value": 0.815
},
{
"type": "I/SigI",
"value": 2.610
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 4.286
},
{
"type": "CC(1/2)",
"value": 0.784
}
]
},
{
"resolution_limits": [1.180,1.150],
"number_observations": 21019,
"number_observations_unique": 3587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(meas)",
"value": 0.643
},
{
"type": "I/SigI",
"value": 4.070
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.860
},
{
"type": "CC(1/2)",
"value": 0.899
}
]
},
{
"resolution_limits": [1.220,1.180],
"number_observations": 20286,
"number_observations_unique": 3505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "R(meas)",
"value": 0.539
},
{
"type": "I/SigI",
"value": 4.850
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.788
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.260,1.220],
"number_observations": 19413,
"number_observations_unique": 3386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "R(meas)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 5.830
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.733
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [1.300,1.260],
"number_observations": 20789,
"number_observations_unique": 3302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "R(meas)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 7.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.296
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.340,1.300],
"number_observations": 20059,
"number_observations_unique": 3179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 9.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.310
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.390,1.340],
"number_observations": 19239,
"number_observations_unique": 3106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 11.690
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.194
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.450,1.390],
"number_observations": 18015,
"number_observations_unique": 2966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.074
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.510,1.450],
"number_observations": 18839,
"number_observations_unique": 2858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 17.760
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.592
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.590,1.510],
"number_observations": 17920,
"number_observations_unique": 2741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 23.180
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.538
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.670,1.590],
"number_observations": 16766,
"number_observations_unique": 2612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 27.970
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.419
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.780,1.670],
"number_observations": 14683,
"number_observations_unique": 2470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 32.420
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.945
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.900,1.780],
"number_observations": 15633,
"number_observations_unique": 2355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 40.690
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.638
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.050,1.900],
"number_observations": 13832,
"number_observations_unique": 2162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 47.240
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.398
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.250,2.050],
"number_observations": 12437,
"number_observations_unique": 2017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 51.140
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.166
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.510,2.250],
"number_observations": 10108,
"number_observations_unique": 1814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 51.020
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.572
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.900,2.510],
"number_observations": 10159,
"number_observations_unique": 1629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 56.940
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.236
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.550,2.900],
"number_observations": 8347,
"number_observations_unique": 1392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 58.210
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.996
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.020,3.550],
"number_observations": 5871,
"number_observations_unique": 1091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 56.630
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.381
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [37.240,5.020],
"number_observations": 3724,
"number_observations_unique": 662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 57.290
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.625
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}