Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "319262c3d881c045e2c6ab6076f69f3e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 82.622,
"b": 111.424,
"c": 276.763,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations_unique": 148149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 85.500
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations_unique": 13007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "Completeness",
"value": 75.90
},
{
"type": "Redundancy",
"value": 3.00
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations_unique": 13181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "Completeness",
"value": 77.10
},
{
"type": "Redundancy",
"value": 3.00
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations_unique": 13201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "Completeness",
"value": 76.90
},
{
"type": "Redundancy",
"value": 3.00
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations_unique": 13436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 78.00
},
{
"type": "Redundancy",
"value": 3.00
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations_unique": 13520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 78.70
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations_unique": 14517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 84.20
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations_unique": 16065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 93.00
},
{
"type": "Redundancy",
"value": 2.80
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations_unique": 16939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [4.31,3.42],
"number_observations_unique": 17090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 3.00
}
]
},
{
"resolution_limits": [50.00,4.31],
"number_observations_unique": 17193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 95.30
},
{
"type": "Redundancy",
"value": 3.20
}
]
}
]
}