Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "69387618e0786b7a6890c18eec17f20f",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 132.306,
"b": 132.306,
"c": 158.790,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97952],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.0,2.640],
"number_observations_unique": 47453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 2370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.566
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [2.730,2.690],
"number_observations_unique": 2320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.481
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [2.790,2.730],
"number_observations_unique": 2357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.8
}
]
},
{
"resolution_limits": [2.840,2.790],
"number_observations_unique": 2350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 5.9
}
]
},
{
"resolution_limits": [2.910,2.840],
"number_observations_unique": 2338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [2.970,2.910],
"number_observations_unique": 2352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [3.050,2.970],
"number_observations_unique": 2378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [3.130,3.050],
"number_observations_unique": 2358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [3.220,3.130],
"number_observations_unique": 2332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [3.330,3.220],
"number_observations_unique": 2352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [3.440,3.330],
"number_observations_unique": 2389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [3.580,3.440],
"number_observations_unique": 2359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [3.750,3.580],
"number_observations_unique": 2353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [3.940,3.750],
"number_observations_unique": 2371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [4.190,3.940],
"number_observations_unique": 2384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [4.510,4.190],
"number_observations_unique": 2389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [4.970,4.510],
"number_observations_unique": 2400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [5.680,4.970],
"number_observations_unique": 2412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
{
"resolution_limits": [7.160,5.680],
"number_observations_unique": 2431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
{
"resolution_limits": [45.000,7.160],
"number_observations_unique": 2458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 6.3
}
]
}
]
}