Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc4d0db7bb30bf57c93fe6f1b78cc399",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.02,
"b": 79.55,
"c": 62.88,
"alpha": 90.00,
"beta": 104.53,
"gamma": 90.00
},
"wavelengths": [0.97890],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.341,1.900],
"number_observations_unique": 35636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 16.57
},
{
"type": "Completeness",
"value": 98.5
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.900],
"number_observations": 28068,
"number_observations_unique": 4846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 4.620
},
{
"type": "Completeness",
"value": 94.8
}
]
},
{
"resolution_limits": [2.100,2.000],
"number_observations": 27420,
"number_observations_unique": 4150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 6.980
},
{
"type": "Completeness",
"value": 98.1
}
]
},
{
"resolution_limits": [2.200,2.100],
"number_observations": 23118,
"number_observations_unique": 3449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 8.970
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [2.300,2.200],
"number_observations": 16284,
"number_observations_unique": 2783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 9.640
},
{
"type": "Completeness",
"value": 96.1
}
]
},
{
"resolution_limits": [2.400,2.300],
"number_observations": 17124,
"number_observations_unique": 2446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 12.590
},
{
"type": "Completeness",
"value": 99.6
}
]
},
{
"resolution_limits": [2.500,2.400],
"number_observations": 14171,
"number_observations_unique": 2031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 14.060
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations": 45148,
"number_observations_unique": 6691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 17.560
},
{
"type": "Completeness",
"value": 99.5
}
]
},
{
"resolution_limits": [3.500,3.000],
"number_observations": 22907,
"number_observations_unique": 3385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 26.790
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 12485,
"number_observations_unique": 1904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 32.770
},
{
"type": "Completeness",
"value": 99.5
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 13116,
"number_observations_unique": 1906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 38.390
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 5660,
"number_observations_unique": 851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 34.750
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [8.000,6.000],
"number_observations": 4767,
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 37.830
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations": 1510,
"number_observations_unique": 244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 41.190
},
{
"type": "Completeness",
"value": 99.2
}
]
},
{
"resolution_limits": [40,10.000],
"number_observations": 1732,
"number_observations_unique": 264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 47.640
},
{
"type": "Completeness",
"value": 98.5
}
]
}
]
}