Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "90e598de21752c0feab014042943334f",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 87.475,
"b": 87.475,
"c": 90.599,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations_unique": 26720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations_unique": 2079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "Completeness",
"value": 76.60
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations_unique": 2549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "Completeness",
"value": 94.60
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations_unique": 2712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations_unique": 2738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations_unique": 2729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations_unique": 2733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations_unique": 2748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations_unique": 2754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [4.31,3.42],
"number_observations_unique": 2798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [50.00,4.31],
"number_observations_unique": 2880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 7.00
}
]
}
]
}