Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "46ca10d547d8609a91b50aa7c57bda9d",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 59.749,
"b": 79.732,
"c": 36.971,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.358],
"number_observations_unique": 37822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 22.969
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.41,1.36],
"number_observations_unique": 3728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 5.074
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.47,1.41],
"number_observations_unique": 3830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [1.53,1.47],
"number_observations_unique": 3824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [1.61,1.53],
"number_observations_unique": 3837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [1.71,1.61],
"number_observations_unique": 3792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [1.85,1.71],
"number_observations_unique": 3844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [2.03,1.85],
"number_observations_unique": 3795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [2.33,2.03],
"number_observations_unique": 3834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [2.93,2.33],
"number_observations_unique": 3796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [50.00,2.93],
"number_observations_unique": 3542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 85.50
},
{
"type": "Redundancy",
"value": 4.70
}
]
}
]
}