Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "34de8a88cc44cbfa0f2128ba722d374c",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 83.40,
"b": 83.40,
"c": 94.21,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.09720],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.455,1.850],
"number_observations": 713044,
"number_observations_unique": 27657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "I/SigI",
"value": 7.140
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 25.782
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 919,
"number_observations_unique": 542,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.080
},
{
"type": "R(meas)",
"value": 4.131
},
{
"type": "I/SigI",
"value": 0.150
},
{
"type": "Completeness",
"value": 23.700
},
{
"type": "Redundancy",
"value": 1.696
},
{
"type": "CC(1/2)",
"value": 0.147
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 3357,
"number_observations_unique": 1305,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.512
},
{
"type": "R(meas)",
"value": 1.530
},
{
"type": "I/SigI",
"value": 0.670
},
{
"type": "Completeness",
"value": 58.400
},
{
"type": "Redundancy",
"value": 2.572
},
{
"type": "CC(1/2)",
"value": 0.338
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 6910,
"number_observations_unique": 1771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "R(meas)",
"value": 0.581
},
{
"type": "I/SigI",
"value": 1.670
},
{
"type": "Completeness",
"value": 80.800
},
{
"type": "Redundancy",
"value": 3.902
},
{
"type": "CC(1/2)",
"value": 0.708
}
]
},
{
"resolution_limits": [2.070,2.010],
"number_observations": 9720,
"number_observations_unique": 1921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 4.420
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 5.060
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations": 12270,
"number_observations_unique": 1933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 10.870
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 6.348
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.210,2.140],
"number_observations": 18047,
"number_observations_unique": 1918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 20.760
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 9.409
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.300,2.210],
"number_observations": 26187,
"number_observations_unique": 1903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 32.850
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 13.761
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.390,2.300],
"number_observations": 37475,
"number_observations_unique": 1855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 53.650
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.202
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.500,2.390],
"number_observations": 48139,
"number_observations_unique": 1770,
"quality_factors": [
{
"type": "I/SigI",
"value": 71.840
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 27.197
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.620,2.500],
"number_observations": 63696,
"number_observations_unique": 1696,
"quality_factors": [
{
"type": "I/SigI",
"value": 81.550
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 37.557
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.760,2.620],
"number_observations": 66513,
"number_observations_unique": 1598,
"quality_factors": [
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 41.623
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.930,2.760],
"number_observations": 63337,
"number_observations_unique": 1524,
"quality_factors": [
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 41.560
}
]
},
{
"resolution_limits": [3.130,2.930],
"number_observations": 58934,
"number_observations_unique": 1435,
"quality_factors": [
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 41.069
}
]
},
{
"resolution_limits": [3.380,3.130],
"number_observations": 57617,
"number_observations_unique": 1338,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 43.062
}
]
},
{
"resolution_limits": [3.700,3.380],
"number_observations": 57007,
"number_observations_unique": 1223,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 46.612
}
]
},
{
"resolution_limits": [4.140,3.700],
"number_observations": 52077,
"number_observations_unique": 1109,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 46.959
}
]
},
{
"resolution_limits": [4.780,4.140],
"number_observations": 46315,
"number_observations_unique": 985,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 47.020
}
]
},
{
"resolution_limits": [5.860,4.780],
"number_observations": 38736,
"number_observations_unique": 826,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 46.896
}
]
},
{
"resolution_limits": [8.280,5.860],
"number_observations": 30199,
"number_observations_unique": 648,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 46.603
}
]
},
{
"resolution_limits": [39.455,8.280],
"number_observations": 15589,
"number_observations_unique": 357,
"quality_factors": [
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 43.667
}
]
}
]
}