Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de39bbff7d025f4274a22fdf3753a200",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 32.650,
"b": 116.620,
"c": 57.238,
"alpha": 90.00,
"beta": 100.97,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.050,1.900],
"number_observations": 217828,
"number_observations_unique": 32418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 15.650
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.719
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 15719,
"number_observations_unique": 2324,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.599
},
{
"type": "R(meas)",
"value": 1.731
},
{
"type": "I/SigI",
"value": 1.530
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.764
},
{
"type": "CC(1/2)",
"value": 0.602
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 15362,
"number_observations_unique": 2321,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.248
},
{
"type": "R(meas)",
"value": 1.355
},
{
"type": "I/SigI",
"value": 1.970
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.619
},
{
"type": "CC(1/2)",
"value": 0.671
}
]
},
{
"resolution_limits": [2.070,2.010],
"number_observations": 14866,
"number_observations_unique": 2255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.914
},
{
"type": "R(meas)",
"value": 0.992
},
{
"type": "I/SigI",
"value": 2.680
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.592
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [2.130,2.070],
"number_observations": 15303,
"number_observations_unique": 2180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.794
},
{
"type": "R(meas)",
"value": 0.857
},
{
"type": "I/SigI",
"value": 3.410
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.020
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [2.200,2.130],
"number_observations": 15132,
"number_observations_unique": 2163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.585
},
{
"type": "R(meas)",
"value": 0.632
},
{
"type": "I/SigI",
"value": 4.510
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.996
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [2.280,2.200],
"number_observations": 14060,
"number_observations_unique": 2032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 5.910
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.919
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.360,2.280],
"number_observations": 13706,
"number_observations_unique": 2008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.826
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.460,2.360],
"number_observations": 12511,
"number_observations_unique": 1911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 8.560
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.547
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.570,2.460],
"number_observations": 12606,
"number_observations_unique": 1855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 10.970
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.796
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.690,2.570],
"number_observations": 12758,
"number_observations_unique": 1771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 14.010
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.204
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.840,2.690],
"number_observations": 11881,
"number_observations_unique": 1675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 18.140
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.093
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.010,2.840],
"number_observations": 11136,
"number_observations_unique": 1632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 24.340
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.824
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.220,3.010],
"number_observations": 9127,
"number_observations_unique": 1457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 31.670
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.264
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.480,3.220],
"number_observations": 8927,
"number_observations_unique": 1400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 36.550
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.376
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.810,3.480],
"number_observations": 8712,
"number_observations_unique": 1311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 38.460
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.645
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.260,3.810],
"number_observations": 7690,
"number_observations_unique": 1156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 40.370
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.652
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.920,4.260],
"number_observations": 6312,
"number_observations_unique": 1030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 40.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.128
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.020,4.920],
"number_observations": 5675,
"number_observations_unique": 883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 42.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.427
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.520,6.020],
"number_observations": 4083,
"number_observations_unique": 680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 42.170
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.004
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [32.050,8.520],
"number_observations": 2262,
"number_observations_unique": 374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 43.630
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.048
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}