Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b5c6e9694b342082f8b46e7a47c20171",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.657,
"b": 109.208,
"c": 157.952,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.600],
"number_observations_unique": 93258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 77.300
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.66,1.60],
"number_observations_unique": 853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.544
},
{
"type": "Redundancy",
"value": 1.30
}
]
},
{
"resolution_limits": [1.72,1.66],
"number_observations_unique": 2957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "Redundancy",
"value": 1.80
}
]
},
{
"resolution_limits": [1.80,1.72],
"number_observations_unique": 6692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "Redundancy",
"value": 3.00
}
]
},
{
"resolution_limits": [1.90,1.80],
"number_observations_unique": 10258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [2.02,1.90],
"number_observations_unique": 11790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.17,2.02],
"number_observations_unique": 11906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [2.39,2.17],
"number_observations_unique": 11990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [2.74,2.39],
"number_observations_unique": 12040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.45,2.74],
"number_observations_unique": 12165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [50.00,3.45],
"number_observations_unique": 12607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Redundancy",
"value": 7.20
}
]
}
]
}