Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87ef09ff09990d10bf6883a27307f214",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.93,
"b": 104.21,
"c": 90.13,
"alpha": 90.00,
"beta": 108.27,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.030,2.890],
"number_observations_unique": 44606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 7.230
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 1.601
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.970,2.890],
"number_observations_unique": 2987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.646
},
{
"type": "R(meas)",
"value": 0.911
},
{
"type": "I/SigI",
"value": 1.040
},
{
"type": "Completeness",
"value": 79.100
},
{
"type": "Redundancy",
"value": 1.567
},
{
"type": "CC(1/2)",
"value": 0.594
}
]
},
{
"resolution_limits": [3.050,2.970],
"number_observations_unique": 3331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.528
},
{
"type": "R(meas)",
"value": 0.744
},
{
"type": "I/SigI",
"value": 1.250
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 1.585
},
{
"type": "CC(1/2)",
"value": 0.652
}
]
},
{
"resolution_limits": [3.140,3.050],
"number_observations_unique": 3241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "R(meas)",
"value": 0.584
},
{
"type": "I/SigI",
"value": 1.760
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 1.596
},
{
"type": "CC(1/2)",
"value": 0.744
}
]
},
{
"resolution_limits": [3.230,3.140],
"number_observations_unique": 3080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "R(meas)",
"value": 0.457
},
{
"type": "I/SigI",
"value": 2.180
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 1.571
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [3.340,3.230],
"number_observations_unique": 2974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 2.810
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 1.509
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [3.460,3.340],
"number_observations_unique": 2904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 3.510
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 1.606
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [3.590,3.460],
"number_observations_unique": 2863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 4.150
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 1.630
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.730,3.590],
"number_observations_unique": 2673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 5.670
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 1.621
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.900,3.730],
"number_observations_unique": 2550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 7.050
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 1.603
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [4.090,3.900],
"number_observations_unique": 2409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 8.440
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 1.544
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.310,4.090],
"number_observations_unique": 2264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 9.920
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 1.599
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.570,4.310],
"number_observations_unique": 2204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 11.440
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 1.667
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.890,4.570],
"number_observations_unique": 2034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 12.530
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 1.640
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.280,4.890],
"number_observations_unique": 1916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 1.610
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.780,5.280],
"number_observations_unique": 1704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 11.030
},
{
"type": "Completeness",
"value": 86.500
},
{
"type": "Redundancy",
"value": 1.589
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.460,5.780],
"number_observations_unique": 1604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 12.970
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 1.689
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [7.460,6.460],
"number_observations_unique": 1364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 15.220
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 1.639
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [9.140,7.460],
"number_observations_unique": 1137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 21.330
},
{
"type": "Completeness",
"value": 85.000
},
{
"type": "Redundancy",
"value": 1.608
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [12.930,9.140],
"number_observations_unique": 890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 27.690
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 1.685
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [33.030,12.930],
"number_observations_unique": 477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 26.600
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 1.616
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}