Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "594dbf3d116259dba001b59ba48f22d9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.632,
"b": 57.548,
"c": 60.967,
"alpha": 90.00,
"beta": 110.85,
"gamma": 90.00
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.750],
"number_observations_unique": 29027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations_unique": 1376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [1.810,1.780],
"number_observations_unique": 1374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.850,1.810],
"number_observations_unique": 1403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.890,1.850],
"number_observations_unique": 1435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [1.930,1.890],
"number_observations_unique": 1468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.970,1.930],
"number_observations_unique": 1473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.020,1.970],
"number_observations_unique": 1431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.070,2.020],
"number_observations_unique": 1449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 1474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.200,2.140],
"number_observations_unique": 1459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.280,2.200],
"number_observations_unique": 1443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.380,2.280],
"number_observations_unique": 1454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.480,2.380],
"number_observations_unique": 1460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.610,2.480],
"number_observations_unique": 1471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.780,2.610],
"number_observations_unique": 1466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.990,2.780],
"number_observations_unique": 1447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.290,2.990],
"number_observations_unique": 1461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.770,3.290],
"number_observations_unique": 1476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [4.750,3.770],
"number_observations_unique": 1482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [50.000,4.750],
"number_observations_unique": 1525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
}
]
}