Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f822a0e9e901b676c7921464c2cc94e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.213,
"b": 66.970,
"c": 90.351,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.09],
"number_observations_unique": 39369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
"refln_shells": [
{
"resolution_limits": [2.14,2.10],
"number_observations_unique": 1386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.939
},
{
"type": "Completeness",
"value": 66.4
},
{
"type": "Redundancy",
"value": 1.8
}
]
},
{
"resolution_limits": [2.18,2.14],
"number_observations_unique": 1559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.849
},
{
"type": "Completeness",
"value": 73.5
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [2.22,2.18],
"number_observations_unique": 1710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.781
},
{
"type": "Completeness",
"value": 81.8
},
{
"type": "Redundancy",
"value": 2.2
}
]
},
{
"resolution_limits": [2.26,2.22],
"number_observations_unique": 1801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.805
},
{
"type": "Completeness",
"value": 85.6
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
{
"resolution_limits": [2.31,2.26],
"number_observations_unique": 1892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.767
},
{
"type": "Completeness",
"value": 90.9
},
{
"type": "Redundancy",
"value": 2.7
}
]
},
{
"resolution_limits": [2.37,2.31],
"number_observations_unique": 2019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.799
},
{
"type": "Completeness",
"value": 94.8
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
{
"resolution_limits": [2.42,2.37],
"number_observations_unique": 2038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.888
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [2.49,2.42],
"number_observations_unique": 2102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.874
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [2.56,2.49],
"number_observations_unique": 2114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.745
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.1
}
]
},
{
"resolution_limits": [2.65,2.56],
"number_observations_unique": 2061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.704
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 4.3
}
]
},
{
"resolution_limits": [2.74,2.65],
"number_observations_unique": 2109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.542
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 4.3
}
]
},
{
"resolution_limits": [2.85,2.74],
"number_observations_unique": 2063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
{
"resolution_limits": [2.98,2.85],
"number_observations_unique": 2098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
{
"resolution_limits": [3.14,2.98],
"number_observations_unique": 2089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 4.3
}
]
},
{
"resolution_limits": [3.33,3.14],
"number_observations_unique": 2086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 4.2
}
]
},
{
"resolution_limits": [3.59,3.33],
"number_observations_unique": 2064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 4.0
}
]
},
{
"resolution_limits": [3.95,3.59],
"number_observations_unique": 2078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [4.52,3.95],
"number_observations_unique": 2072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [5.70,4.52],
"number_observations_unique": 2055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [50.00,5.70],
"number_observations_unique": 1973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 93.0
},
{
"type": "Redundancy",
"value": 3.1
}
]
}
]
}