Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "35f5f2788841f6b107af3a4f11291855",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.673,
"b": 135.673,
"c": 235.865,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.78,2.100],
"number_observations": 492577,
"number_observations_unique": 94423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 16.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.217
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"number_observations": 37208,
"number_observations_unique": 6985,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.305
},
{
"type": "R(meas)",
"value": 1.449
},
{
"type": "I/SigI",
"value": 1.240
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.327
},
{
"type": "CC(1/2)",
"value": 0.470
}
]
},
{
"resolution_limits": [2.210,2.150],
"number_observations": 36128,
"number_observations_unique": 6825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.893
},
{
"type": "R(meas)",
"value": 0.992
},
{
"type": "I/SigI",
"value": 1.820
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.293
},
{
"type": "CC(1/2)",
"value": 0.637
}
]
},
{
"resolution_limits": [2.280,2.210],
"number_observations": 33764,
"number_observations_unique": 6574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.825
},
{
"type": "R(meas)",
"value": 0.922
},
{
"type": "I/SigI",
"value": 2.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.136
},
{
"type": "CC(1/2)",
"value": 0.710
}
]
},
{
"resolution_limits": [2.350,2.280],
"number_observations": 32301,
"number_observations_unique": 6470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.589
},
{
"type": "R(meas)",
"value": 0.659
},
{
"type": "I/SigI",
"value": 2.720
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.992
},
{
"type": "CC(1/2)",
"value": 0.810
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations": 32128,
"number_observations_unique": 6223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 3.580
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.163
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [2.510,2.420],
"number_observations": 32724,
"number_observations_unique": 6043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 4.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.415
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [2.600,2.510],
"number_observations": 31209,
"number_observations_unique": 5814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.293
},
{
"type": "I/SigI",
"value": 6.060
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.368
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [2.710,2.600],
"number_observations": 29444,
"number_observations_unique": 5615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 7.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.244
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.830,2.710],
"number_observations": 27198,
"number_observations_unique": 5377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 9.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.058
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.970,2.830],
"number_observations": 26127,
"number_observations_unique": 5103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 12.120
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.120
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.130,2.970],
"number_observations": 26563,
"number_observations_unique": 4888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 16.260
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.434
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.320,3.130],
"number_observations": 24670,
"number_observations_unique": 4614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 21.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.347
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.550,3.320],
"number_observations": 22639,
"number_observations_unique": 4338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 29.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.219
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.830,3.550],
"number_observations": 19913,
"number_observations_unique": 4045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 35.160
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.923
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.200,3.830],
"number_observations": 19461,
"number_observations_unique": 3705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 43.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.253
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.700,4.200],
"number_observations": 17767,
"number_observations_unique": 3355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 48.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.296
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.420,4.700],
"number_observations": 14739,
"number_observations_unique": 2964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 49.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.973
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.640,5.420],
"number_observations": 13086,
"number_observations_unique": 2502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 48.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.230
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.390,6.640],
"number_observations": 10138,
"number_observations_unique": 1930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 58.390
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.253
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [43.780,9.390],
"number_observations": 5370,
"number_observations_unique": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 64.850
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}