Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd80afa1c686c875cfd682b4f40757c2",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 73.305,
"b": 119.131,
"c": 137.158,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,2.100],
"number_observations_unique": 30529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.18,2.10],
"number_observations_unique": 1782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "Completeness",
"value": 51.50
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [2.26,2.18],
"number_observations_unique": 2203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "Completeness",
"value": 63.70
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.37,2.26],
"number_observations_unique": 2513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "Completeness",
"value": 72.50
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [2.49,2.37],
"number_observations_unique": 2943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "Completeness",
"value": 84.30
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.65,2.49],
"number_observations_unique": 3343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "Completeness",
"value": 96.30
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.85,2.65],
"number_observations_unique": 3481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [3.14,2.85],
"number_observations_unique": 3522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [3.59,3.14],
"number_observations_unique": 3502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [4.52,3.59],
"number_observations_unique": 3563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [100.00,4.52],
"number_observations_unique": 3677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 4.80
}
]
}
]
}