Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e0df40d0b5b32fec3faa7cb27a21c40a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.653,
"b": 54.070,
"c": 75.261,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.70003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.63,1.100],
"number_observations": 356787,
"number_observations_unique": 54965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 15.240
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.520
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.130,1.100],
"number_observations": 24652,
"number_observations_unique": 4042,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.272
},
{
"type": "R(meas)",
"value": 1.391
},
{
"type": "I/SigI",
"value": 1.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.099
},
{
"type": "CC(1/2)",
"value": 0.602
}
]
},
{
"resolution_limits": [1.160,1.130],
"number_observations": 25238,
"number_observations_unique": 3894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.969
},
{
"type": "R(meas)",
"value": 1.054
},
{
"type": "I/SigI",
"value": 2.020
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.481
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [1.190,1.160],
"number_observations": 25289,
"number_observations_unique": 3761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.798
},
{
"type": "R(meas)",
"value": 0.866
},
{
"type": "I/SigI",
"value": 2.530
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.724
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [1.230,1.190],
"number_observations": 24616,
"number_observations_unique": 3705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.688
},
{
"type": "R(meas)",
"value": 0.747
},
{
"type": "I/SigI",
"value": 2.930
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.644
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [1.270,1.230],
"number_observations": 23385,
"number_observations_unique": 3570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "R(meas)",
"value": 0.603
},
{
"type": "I/SigI",
"value": 3.510
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.550
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [1.310,1.270],
"number_observations": 22313,
"number_observations_unique": 3488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.505
},
{
"type": "I/SigI",
"value": 4.170
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.397
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [1.360,1.310],
"number_observations": 20589,
"number_observations_unique": 3359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 5.130
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.130
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [1.420,1.360],
"number_observations": 22058,
"number_observations_unique": 3236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 6.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.816
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [1.480,1.420],
"number_observations": 20882,
"number_observations_unique": 3085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 8.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.769
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.560,1.480],
"number_observations": 19995,
"number_observations_unique": 2985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 11.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.698
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.640,1.560],
"number_observations": 18688,
"number_observations_unique": 2842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 15.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.576
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.740,1.640],
"number_observations": 16423,
"number_observations_unique": 2671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 18.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.149
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.860,1.740],
"number_observations": 17448,
"number_observations_unique": 2550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.842
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.010,1.860],
"number_observations": 16021,
"number_observations_unique": 2354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 35.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.806
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.200,2.010],
"number_observations": 14402,
"number_observations_unique": 2187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 42.520
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.585
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.460,2.200],
"number_observations": 12087,
"number_observations_unique": 2002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 46.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.037
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.840,2.460],
"number_observations": 11373,
"number_observations_unique": 1768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 54.530
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.433
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.480,2.840],
"number_observations": 9945,
"number_observations_unique": 1518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 64.810
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.551
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.920,3.480],
"number_observations": 7122,
"number_observations_unique": 1208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 70.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.896
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [37.630,4.920],
"number_observations": 4261,
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 69.150
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.935
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}