Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec35c1cfe331730f4ae01fd911ac8c1e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.276,
"b": 65.903,
"c": 57.759,
"alpha": 90.00,
"beta": 94.28,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.300],
"number_observations_unique": 15119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 98.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations_unique": 1400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "Completeness",
"value": 92.500
}
]
},
{
"resolution_limits": [2.480,2.380],
"number_observations_unique": 1507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.590,2.480],
"number_observations_unique": 1515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.730,2.590],
"number_observations_unique": 1537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.900,2.730],
"number_observations_unique": 1503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.120,2.900],
"number_observations_unique": 1515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.430,3.120],
"number_observations_unique": 1528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.930,3.430],
"number_observations_unique": 1523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [4.930,3.930],
"number_observations_unique": 1536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [20.000,4.930],
"number_observations_unique": 1555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 98.600
}
]
}
]
}