Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d0c30994b377c7cc5c85e617d24619e5",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 45.171,
"b": 59.343,
"c": 163.233,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.53,1.930],
"number_observations": 223044,
"number_observations_unique": 34187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 17.120
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.524
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations": 16957,
"number_observations_unique": 2513,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.050
},
{
"type": "R(meas)",
"value": 2.222
},
{
"type": "I/SigI",
"value": 0.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.748
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations": 15987,
"number_observations_unique": 2385,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.399
},
{
"type": "R(meas)",
"value": 1.518
},
{
"type": "I/SigI",
"value": 1.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.703
},
{
"type": "CC(1/2)",
"value": 0.548
}
]
},
{
"resolution_limits": [2.090,2.030],
"number_observations": 15151,
"number_observations_unique": 2356,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.055
},
{
"type": "R(meas)",
"value": 1.149
},
{
"type": "I/SigI",
"value": 1.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.431
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
{
"resolution_limits": [2.150,2.090],
"number_observations": 14814,
"number_observations_unique": 2302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "R(meas)",
"value": 0.732
},
{
"type": "I/SigI",
"value": 2.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.435
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [2.220,2.150],
"number_observations": 15248,
"number_observations_unique": 2214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.488
},
{
"type": "R(meas)",
"value": 0.528
},
{
"type": "I/SigI",
"value": 3.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.887
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [2.300,2.220],
"number_observations": 14709,
"number_observations_unique": 2161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "R(meas)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 5.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.807
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.390,2.300],
"number_observations": 13967,
"number_observations_unique": 2094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 7.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.670
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.490,2.390],
"number_observations": 13128,
"number_observations_unique": 2009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 9.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.535
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.600,2.490],
"number_observations": 11832,
"number_observations_unique": 1916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 11.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.175
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.720,2.600],
"number_observations": 12524,
"number_observations_unique": 1840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 15.540
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.807
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.870,2.720],
"number_observations": 12005,
"number_observations_unique": 1776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 19.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.760
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.050,2.870],
"number_observations": 11066,
"number_observations_unique": 1662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 24.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.658
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.260,3.050],
"number_observations": 10065,
"number_observations_unique": 1588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 30.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.338
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.520,3.260],
"number_observations": 9269,
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 37.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.284
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.850,3.520],
"number_observations": 8975,
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 44.680
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.590
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.310,3.850],
"number_observations": 7941,
"number_observations_unique": 1237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 48.620
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.420
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.970,4.310],
"number_observations": 6594,
"number_observations_unique": 1127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 49.390
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.851
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.090,4.970],
"number_observations": 5928,
"number_observations_unique": 941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 51.420
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.610,6.090],
"number_observations": 4487,
"number_observations_unique": 764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 50.520
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.873
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.535,8.610],
"number_observations": 2397,
"number_observations_unique": 465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 52.780
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.155
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}