Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cdce4c9379a4cf6fe01b7cccca925959",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.637,
"b": 93.536,
"c": 57.507,
"alpha": 90.00,
"beta": 112.38,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.100],
"number_observations_unique": 27920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations_unique": 1243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.180,2.140],
"number_observations_unique": 1311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "Completeness",
"value": 87.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 1335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 1304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 1376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 1369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 1383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [2.560,2.490],
"number_observations_unique": 1373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [2.650,2.560],
"number_observations_unique": 1415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.740,2.650],
"number_observations_unique": 1435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations_unique": 1409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations_unique": 1435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations_unique": 1452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.330,3.140],
"number_observations_unique": 1456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.590,3.330],
"number_observations_unique": 1483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.950,3.590],
"number_observations_unique": 1472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [4.520,3.950],
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 87.200
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [5.700,4.520],
"number_observations_unique": 1298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 85.400
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [50.000,5.700],
"number_observations_unique": 1510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}