Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bac959849fa4996f8865273ddbfee6be",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.237,
"b": 89.078,
"c": 52.586,
"alpha": 90.00,
"beta": 105.49,
"gamma": 90.00
},
"wavelengths": [0.97972,0.91837,0.97917],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.449,1.49],
"number_observations_unique": 69985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.940
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.42
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.490],
"number_observations": 22139,
"number_observations_unique": 6594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.546
},
{
"type": "I/SigI",
"value": 2.190
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.36
}
]
},
{
"resolution_limits": [1.600,1.540],
"number_observations": 21899,
"number_observations_unique": 6781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [1.680,1.600],
"number_observations": 27123,
"number_observations_unique": 7722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [1.770,1.680],
"number_observations": 24582,
"number_observations_unique": 7096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [1.880,1.770],
"number_observations": 22449,
"number_observations_unique": 6822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 97.300
}
]
},
{
"resolution_limits": [2.020,1.880],
"number_observations": 23812,
"number_observations_unique": 6753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [2.230,2.020],
"number_observations": 25322,
"number_observations_unique": 7266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 15.8
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [2.550,2.230],
"number_observations": 23414,
"number_observations_unique": 6871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 19.6
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [3.210,2.550],
"number_observations": 24672,
"number_observations_unique": 7029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 26.1
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [47.449,3.210],
"number_observations": 23721,
"number_observations_unique": 7051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 35.0
},
{
"type": "Completeness",
"value": 97.000
}
]
}
]
}