Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "447141995014563525038366b61d9ba6",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 58.173,
"b": 58.173,
"c": 391.822,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.304,2.010],
"number_observations_unique": 27252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,2.010],
"number_observations_unique": 1281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
{
"resolution_limits": [2.080,2.040],
"number_observations_unique": 1382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [2.120,2.080],
"number_observations_unique": 1311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.9
}
]
},
{
"resolution_limits": [2.170,2.120],
"number_observations_unique": 1368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [2.210,2.170],
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [2.260,2.210],
"number_observations_unique": 1354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [2.320,2.260],
"number_observations_unique": 1348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [2.380,2.320],
"number_observations_unique": 1339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [2.450,2.380],
"number_observations_unique": 1374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
{
"resolution_limits": [2.530,2.450],
"number_observations_unique": 1383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [2.620,2.530],
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [2.730,2.620],
"number_observations_unique": 1371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [2.850,2.730],
"number_observations_unique": 1354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 5.2
}
]
},
{
"resolution_limits": [3.000,2.850],
"number_observations_unique": 1366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
{
"resolution_limits": [3.190,3.000],
"number_observations_unique": 1358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
{
"resolution_limits": [3.440,3.190],
"number_observations_unique": 1360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 95.8
},
{
"type": "Redundancy",
"value": 4.1
}
]
},
{
"resolution_limits": [3.780,3.440],
"number_observations_unique": 1341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [4.330,3.780],
"number_observations_unique": 1343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 92.4
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [5.450,4.330],
"number_observations_unique": 1397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [50.000,5.450],
"number_observations_unique": 1554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 91.8
},
{
"type": "Redundancy",
"value": 6.0
}
]
}
]
}