Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bb3dbc236732afe2a74a6c68df0276f2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 97.184,
"b": 36.425,
"c": 90.939,
"alpha": 90.00,
"beta": 121.63,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.500],
"number_observations_unique": 36436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 15.6
},
{
"type": "Completeness",
"value": 83.3
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "Completeness",
"value": 32.7
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [1.550,1.530],
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 36.3
},
{
"type": "Redundancy",
"value": 2.0
}
]
},
{
"resolution_limits": [1.580,1.550],
"number_observations_unique": 995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "Completeness",
"value": 45.1
},
{
"type": "Redundancy",
"value": 2.1
}
]
},
{
"resolution_limits": [1.620,1.580],
"number_observations_unique": 1183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "Completeness",
"value": 55.5
},
{
"type": "Redundancy",
"value": 2.2
}
]
},
{
"resolution_limits": [1.650,1.620],
"number_observations_unique": 1392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 64.5
},
{
"type": "Redundancy",
"value": 2.3
}
]
},
{
"resolution_limits": [1.690,1.650],
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 72.1
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [1.730,1.690],
"number_observations_unique": 1789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "Completeness",
"value": 81.5
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
{
"resolution_limits": [1.780,1.730],
"number_observations_unique": 1865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 87.4
},
{
"type": "Redundancy",
"value": 2.7
}
]
},
{
"resolution_limits": [1.830,1.780],
"number_observations_unique": 2034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "Completeness",
"value": 93.4
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [1.890,1.830],
"number_observations_unique": 2108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
{
"resolution_limits": [1.960,1.890],
"number_observations_unique": 2144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [2.040,1.960],
"number_observations_unique": 2202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 4.0
}
]
},
{
"resolution_limits": [2.130,2.040],
"number_observations_unique": 2178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.2
}
]
},
{
"resolution_limits": [2.240,2.130],
"number_observations_unique": 2184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.3
}
]
},
{
"resolution_limits": [2.380,2.240],
"number_observations_unique": 2170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.3
}
]
},
{
"resolution_limits": [2.560,2.380],
"number_observations_unique": 2202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.3
}
]
},
{
"resolution_limits": [2.820,2.560],
"number_observations_unique": 2203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
{
"resolution_limits": [3.230,2.820],
"number_observations_unique": 2213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
{
"resolution_limits": [4.070,3.230],
"number_observations_unique": 2226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.3
}
]
},
{
"resolution_limits": [50.000,4.070],
"number_observations_unique": 2279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.2
}
]
}
]
}