Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "219f296403c1ff75a687415a990068cf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.13,
"b": 48.72,
"c": 75.58,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.790,1.580],
"number_observations": 808181,
"number_observations_unique": 24478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 32.230
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 33.017
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 25835,
"number_observations_unique": 1782,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.113
},
{
"type": "R(meas)",
"value": 2.190
},
{
"type": "I/SigI",
"value": 1.420
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.498
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [1.670,1.620],
"number_observations": 25647,
"number_observations_unique": 1718,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.355
},
{
"type": "R(meas)",
"value": 1.403
},
{
"type": "I/SigI",
"value": 2.230
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.928
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [1.710,1.670],
"number_observations": 51382,
"number_observations_unique": 1686,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.310
},
{
"type": "R(meas)",
"value": 1.332
},
{
"type": "I/SigI",
"value": 3.550
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 30.476
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [1.770,1.710],
"number_observations": 62496,
"number_observations_unique": 1640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.957
},
{
"type": "R(meas)",
"value": 0.969
},
{
"type": "I/SigI",
"value": 5.370
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 38.107
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.820,1.770],
"number_observations": 58531,
"number_observations_unique": 1597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.626
},
{
"type": "R(meas)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 7.460
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 36.651
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.890,1.820],
"number_observations": 58106,
"number_observations_unique": 1556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "R(meas)",
"value": 0.383
},
{
"type": "I/SigI",
"value": 11.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 37.343
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.960,1.890],
"number_observations": 54655,
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 14.940
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 37.054
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.040,1.960],
"number_observations": 56447,
"number_observations_unique": 1456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 22.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 38.769
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.130,2.040],
"number_observations": 52184,
"number_observations_unique": 1371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 28.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 38.063
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.230,2.130],
"number_observations": 49560,
"number_observations_unique": 1332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 36.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 37.207
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.360,2.230],
"number_observations": 46582,
"number_observations_unique": 1264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 45.570
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 36.853
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.500,2.360],
"number_observations": 42505,
"number_observations_unique": 1183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 51.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 35.930
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.670,2.500],
"number_observations": 43118,
"number_observations_unique": 1135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 61.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 37.989
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.880,2.670],
"number_observations": 38451,
"number_observations_unique": 1063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 65.670
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 36.172
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [3.160,2.880],
"number_observations": 35412,
"number_observations_unique": 982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 76.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 36.061
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [3.530,3.160],
"number_observations": 29241,
"number_observations_unique": 888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 77.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 32.929
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [4.080,3.530],
"number_observations": 26895,
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 82.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 33.493
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [5.000,4.080],
"number_observations": 23722,
"number_observations_unique": 676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 85.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 35.092
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [7.070,5.000],
"number_observations": 17090,
"number_observations_unique": 543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 80.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 31.473
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [37.790,7.070],
"number_observations": 10322,
"number_observations_unique": 328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 82.460
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 31.470
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}