Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "11927a12022b282ca0c2c7f1a792ac68",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.95,
"b": 66.08,
"c": 91.00,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.94645,0.97967],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.037,1.59],
"number_observations_unique": 37939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 14.920
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
"refln_shells": [
{
"resolution_limits": [1.65,1.59],
"number_observations": 14181,
"number_observations_unique": 7542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [1.71,1.65],
"number_observations": 12264,
"number_observations_unique": 6489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [1.79,1.71],
"number_observations": 13895,
"number_observations_unique": 7350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 99.10
}
]
},
{
"resolution_limits": [1.88,1.79],
"number_observations": 12984,
"number_observations_unique": 6843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [2.00,1.88],
"number_observations": 13801,
"number_observations_unique": 7247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 97.90
}
]
},
{
"resolution_limits": [2.16,2.00],
"number_observations": 13910,
"number_observations_unique": 7309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 98.20
}
]
},
{
"resolution_limits": [2.37,2.16],
"number_observations": 15530,
"number_observations_unique": 6883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 15.7
},
{
"type": "Completeness",
"value": 98.40
}
]
},
{
"resolution_limits": [2.72,2.37],
"number_observations": 23149,
"number_observations_unique": 7315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 20.7
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [3.42,2.72],
"number_observations": 27289,
"number_observations_unique": 7150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 33.2
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [29.037,3.42],
"number_observations": 27679,
"number_observations_unique": 7206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 48.2
},
{
"type": "Completeness",
"value": 99.20
}
]
}
]
}