Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56d6eef4c4b75c13d71ff9e2e7a2a0ca",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.180,
"b": 119.031,
"c": 60.885,
"alpha": 90.00,
"beta": 108.84,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,1.800],
"number_observations_unique": 53184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.86,1.80],
"number_observations_unique": 3909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.522
},
{
"type": "Completeness",
"value": 70.20
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.94,1.86],
"number_observations_unique": 4718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "Completeness",
"value": 84.30
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [2.03,1.94],
"number_observations_unique": 5261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "Completeness",
"value": 93.70
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [2.13,2.03],
"number_observations_unique": 5536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 8.00
}
]
},
{
"resolution_limits": [2.27,2.13],
"number_observations_unique": 5629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.10
}
]
},
{
"resolution_limits": [2.44,2.27],
"number_observations_unique": 5576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.50
}
]
},
{
"resolution_limits": [2.69,2.44],
"number_observations_unique": 5614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [3.08,2.69],
"number_observations_unique": 5617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [3.88,3.08],
"number_observations_unique": 5629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [100.00,3.88],
"number_observations_unique": 5695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 9.90
}
]
}
]
}