Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f79a7e7bfc27c3148b2b804f2773e04f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 75.413,
"b": 101.229,
"c": 103.032,
"alpha": 90.00,
"beta": 94.28,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.500],
"number_observations_unique": 52651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.59,2.50],
"number_observations_unique": 4558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "Completeness",
"value": 84.50
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [2.69,2.59],
"number_observations_unique": 5080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "Completeness",
"value": 95.30
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [2.82,2.69],
"number_observations_unique": 5326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.96,2.82],
"number_observations_unique": 5341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.15,2.96],
"number_observations_unique": 5394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.39,3.15],
"number_observations_unique": 5348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.73,3.39],
"number_observations_unique": 5371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [4.27,3.73],
"number_observations_unique": 5374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [5.38,4.27],
"number_observations_unique": 5423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [50.00,5.38],
"number_observations_unique": 5436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 3.70
}
]
}
]
}