Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2412cb205784b952fed6cfc3ca3d78ce",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 78.725,
"b": 86.545,
"c": 104.897,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.490],
"number_observations_unique": 225665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.54,1.49],
"number_observations_unique": 21550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.708
},
{
"type": "Completeness",
"value": 94.70
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [1.61,1.54],
"number_observations_unique": 22693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.504
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [1.68,1.61],
"number_observations_unique": 22640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [1.77,1.68],
"number_observations_unique": 22719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [1.88,1.77],
"number_observations_unique": 22706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [2.02,1.88],
"number_observations_unique": 22726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [2.23,2.02],
"number_observations_unique": 22648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [2.55,2.23],
"number_observations_unique": 22714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [3.21,2.55],
"number_observations_unique": 22719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [50.00,3.21],
"number_observations_unique": 22550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 7.20
}
]
}
]
}