Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5782b1d49571ddeb5efbe6e4f7a53f3c",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 80.72,
"b": 80.72,
"c": 112.96,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.007,2.500],
"number_observations_unique": 13496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 25.98
},
{
"type": "Completeness",
"value": 99.6
}
]
},
"refln_shells": [
{
"resolution_limits": [2.570,2.500],
"number_observations": 6849,
"number_observations_unique": 968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "I/SigI",
"value": 4.130
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [2.640,2.570],
"number_observations": 6787,
"number_observations_unique": 958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 5.150
},
{
"type": "Completeness",
"value": 99.6
}
]
},
{
"resolution_limits": [2.710,2.640],
"number_observations": 6515,
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 6.260
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [2.800,2.710],
"number_observations": 6459,
"number_observations_unique": 904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 7.050
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [2.890,2.800],
"number_observations": 6217,
"number_observations_unique": 878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 8.390
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [2.990,2.890],
"number_observations": 5976,
"number_observations_unique": 837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.6
}
]
},
{
"resolution_limits": [3.100,2.990],
"number_observations": 5899,
"number_observations_unique": 823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 13.090
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [3.230,3.100],
"number_observations": 5656,
"number_observations_unique": 798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [3.370,3.230],
"number_observations": 5357,
"number_observations_unique": 750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 22.170
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [3.540,3.370],
"number_observations": 5184,
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 28.970
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [3.730,3.540],
"number_observations": 4856,
"number_observations_unique": 688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 34.100
},
{
"type": "Completeness",
"value": 99.3
}
]
},
{
"resolution_limits": [3.950,3.730],
"number_observations": 4635,
"number_observations_unique": 662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 41.420
},
{
"type": "Completeness",
"value": 99.1
}
]
},
{
"resolution_limits": [4.230,3.950],
"number_observations": 4397,
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 50.530
},
{
"type": "Completeness",
"value": 99.2
}
]
},
{
"resolution_limits": [4.560,4.230],
"number_observations": 3903,
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 58.390
},
{
"type": "Completeness",
"value": 99.5
}
]
},
{
"resolution_limits": [5.000,4.560],
"number_observations": 3790,
"number_observations_unique": 544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 56.120
},
{
"type": "Completeness",
"value": 99.6
}
]
},
{
"resolution_limits": [5.590,5.000],
"number_observations": 3426,
"number_observations_unique": 499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 45.640
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [6.460,5.590],
"number_observations": 3006,
"number_observations_unique": 447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 48.790
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [7.910,6.460],
"number_observations": 2579,
"number_observations_unique": 388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 56.270
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [11.180,7.910],
"number_observations": 1955,
"number_observations_unique": 313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 76.280
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [38.007,11.180],
"number_observations": 973,
"number_observations_unique": 192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 71.860
},
{
"type": "Completeness",
"value": 93.7
}
]
}
]
}