Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9fdec610e18f2d31e1906ff1f99244da",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 108.253,
"b": 71.984,
"c": 54.703,
"alpha": 90.00,
"beta": 104.68,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.000,2.700],
"number_observations_unique": 19970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.80,2.70],
"number_observations_unique": 1262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "Completeness",
"value": 55.80
},
{
"type": "Redundancy",
"value": 2.10
}
]
},
{
"resolution_limits": [2.91,2.80],
"number_observations_unique": 1512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "Completeness",
"value": 66.30
},
{
"type": "Redundancy",
"value": 2.10
}
]
},
{
"resolution_limits": [3.04,2.91],
"number_observations_unique": 1732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "Completeness",
"value": 76.50
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [3.20,3.04],
"number_observations_unique": 1889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "Completeness",
"value": 84.50
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [3.40,3.20],
"number_observations_unique": 2178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "Completeness",
"value": 95.00
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [3.66,3.40],
"number_observations_unique": 2222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 3.00
}
]
},
{
"resolution_limits": [4.03,3.66],
"number_observations_unique": 2267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [4.62,4.03],
"number_observations_unique": 2288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [5.82,4.62],
"number_observations_unique": 2272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [90.00,5.82],
"number_observations_unique": 2348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.30
}
]
}
]
}