Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f0058c4b8785bd425c466a91839667b6",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 78.922,
"b": 78.922,
"c": 36.868,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.66658],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,1.400],
"number_observations_unique": 23422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.400],
"number_observations_unique": 555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.420,1.410],
"number_observations_unique": 569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.568
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.440,1.420],
"number_observations_unique": 575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.450,1.440],
"number_observations_unique": 568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.460,1.450],
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.480,1.460],
"number_observations_unique": 581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.490,1.480],
"number_observations_unique": 554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.510,1.490],
"number_observations_unique": 584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.520,1.510],
"number_observations_unique": 567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.540,1.520],
"number_observations_unique": 571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.560,1.540],
"number_observations_unique": 569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.580,1.560],
"number_observations_unique": 575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.600,1.580],
"number_observations_unique": 586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.620,1.600],
"number_observations_unique": 568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.640,1.620],
"number_observations_unique": 578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.660,1.640],
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.680,1.660],
"number_observations_unique": 570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.710,1.680],
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.740,1.710],
"number_observations_unique": 570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.760,1.740],
"number_observations_unique": 576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.830,1.790],
"number_observations_unique": 584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.860,1.830],
"number_observations_unique": 602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.900,1.860],
"number_observations_unique": 560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.990,1.940],
"number_observations_unique": 571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.040,1.990],
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.090,2.040],
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.150,2.090],
"number_observations_unique": 599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.220,2.150],
"number_observations_unique": 579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.300,2.220],
"number_observations_unique": 605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.390,2.300],
"number_observations_unique": 582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.500,2.390],
"number_observations_unique": 608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.630,2.500],
"number_observations_unique": 602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.800,2.630],
"number_observations_unique": 592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.020,2.800],
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.320,3.020],
"number_observations_unique": 608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.800,3.320],
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [4.790,3.800],
"number_observations_unique": 634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [100.000,4.790],
"number_observations_unique": 682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
}
]
}