Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b9edc0a8d6110dac400c8ec560ba0d5",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.58,
"b": 62.38,
"c": 100.46,
"alpha": 98.17,
"beta": 94.59,
"gamma": 109.12
},
"wavelengths": [0.98400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.7,2.400],
"number_observations_unique": 73467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 10.770
},
{
"type": "Completeness",
"value": 93.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.500,2.400],
"number_observations": 16985,
"number_observations_unique": 8684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 2.690
},
{
"type": "Completeness",
"value": 96.200
}
]
},
{
"resolution_limits": [2.600,2.500],
"number_observations": 14598,
"number_observations_unique": 7442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 3.270
},
{
"type": "Completeness",
"value": 96.100
}
]
},
{
"resolution_limits": [2.700,2.600],
"number_observations": 11731,
"number_observations_unique": 6104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 4.050
},
{
"type": "Completeness",
"value": 93.500
}
]
},
{
"resolution_limits": [2.800,2.700],
"number_observations": 10899,
"number_observations_unique": 5536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 4.590
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [2.900,2.800],
"number_observations": 9347,
"number_observations_unique": 4748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 5.480
},
{
"type": "Completeness",
"value": 96.900
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations": 8340,
"number_observations_unique": 4230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 6.890
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [3.500,3.000],
"number_observations": 26406,
"number_observations_unique": 13686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 10.410
},
{
"type": "Completeness",
"value": 92.100
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 11982,
"number_observations_unique": 6643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 15.840
},
{
"type": "Completeness",
"value": 79.600
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 15720,
"number_observations_unique": 8026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 23.190
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 6848,
"number_observations_unique": 3526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 21.780
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 7400,
"number_observations_unique": 3823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 24.040
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [41.7,10.000],
"number_observations": 1933,
"number_observations_unique": 1019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 34.910
},
{
"type": "Completeness",
"value": 93.100
}
]
}
]
}