Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a54d83f40df58de4bf15dd1a74690e7",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 43.497,
"b": 61.562,
"c": 109.330,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.50,1.08],
"number_observations_unique": 114914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 10.120
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.089
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.140,1.110],
"number_observations": 16292,
"number_observations_unique": 7396,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.221
},
{
"type": "R(meas)",
"value": 1.537
},
{
"type": "I/SigI",
"value": 0.690
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 2.203
},
{
"type": "CC(1/2)",
"value": 0.332
}
]
},
{
"resolution_limits": [1.170,1.140],
"number_observations": 21011,
"number_observations_unique": 7947,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.014
},
{
"type": "R(meas)",
"value": 1.235
},
{
"type": "I/SigI",
"value": 0.950
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 2.644
},
{
"type": "CC(1/2)",
"value": 0.441
}
]
},
{
"resolution_limits": [1.200,1.170],
"number_observations": 28294,
"number_observations_unique": 8096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.904
},
{
"type": "R(meas)",
"value": 1.063
},
{
"type": "I/SigI",
"value": 1.310
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.495
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [1.240,1.200],
"number_observations": 34241,
"number_observations_unique": 7905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.813
},
{
"type": "R(meas)",
"value": 0.929
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.332
},
{
"type": "CC(1/2)",
"value": 0.602
}
]
},
{
"resolution_limits": [1.280,1.240],
"number_observations": 33370,
"number_observations_unique": 7625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.782
},
{
"type": "I/SigI",
"value": 2.040
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.376
},
{
"type": "CC(1/2)",
"value": 0.652
}
]
},
{
"resolution_limits": [1.330,1.280],
"number_observations": 32233,
"number_observations_unique": 7340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.593
},
{
"type": "R(meas)",
"value": 0.678
},
{
"type": "I/SigI",
"value": 2.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.391
},
{
"type": "CC(1/2)",
"value": 0.712
}
]
},
{
"resolution_limits": [1.380,1.330],
"number_observations": 31331,
"number_observations_unique": 7104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "R(meas)",
"value": 0.544
},
{
"type": "I/SigI",
"value": 2.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.410
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [1.430,1.380],
"number_observations": 30443,
"number_observations_unique": 6872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "R(meas)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 3.660
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.430
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [1.500,1.430],
"number_observations": 29554,
"number_observations_unique": 6628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 4.760
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.459
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [1.570,1.500],
"number_observations": 28041,
"number_observations_unique": 6315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 6.450
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.440
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.650,1.570],
"number_observations": 26789,
"number_observations_unique": 5990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 8.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.472
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [1.760,1.650],
"number_observations": 25586,
"number_observations_unique": 5717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 10.880
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.475
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.880,1.760],
"number_observations": 23895,
"number_observations_unique": 5341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 14.380
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.474
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.030,1.880],
"number_observations": 22471,
"number_observations_unique": 5026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 19.750
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.471
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.220,2.030],
"number_observations": 20623,
"number_observations_unique": 4635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 25.260
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.449
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.480,2.220],
"number_observations": 18575,
"number_observations_unique": 4181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 29.520
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.443
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.870,2.480],
"number_observations": 16478,
"number_observations_unique": 3724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 34.010
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.425
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.510,2.870],
"number_observations": 13885,
"number_observations_unique": 3161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 41.610
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.393
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.960,3.510],
"number_observations": 10854,
"number_observations_unique": 2483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 48.870
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.371
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.880,4.960],
"number_observations": 5890,
"number_observations_unique": 1428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 46.600
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 4.125
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}