Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "860bd65d57f350cf314ef199738eaec8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.498,
"b": 78.227,
"c": 85.080,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97943,0.96420],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.40,1.600],
"number_observations_unique": 45122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 15.276
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.64,1.60],
"number_observations_unique": 2860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 4.1037
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 9.30
}
]
},
{
"resolution_limits": [1.68,1.64],
"number_observations_unique": 2929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 10.70
}
]
},
{
"resolution_limits": [1.72,1.68],
"number_observations_unique": 2964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 12.00
}
]
},
{
"resolution_limits": [1.77,1.72],
"number_observations_unique": 2982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.00
}
]
},
{
"resolution_limits": [1.83,1.77],
"number_observations_unique": 2982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.90
}
]
},
{
"resolution_limits": [1.90,1.83],
"number_observations_unique": 2980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.30
}
]
},
{
"resolution_limits": [1.97,1.90],
"number_observations_unique": 2993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.60
}
]
},
{
"resolution_limits": [2.06,1.97],
"number_observations_unique": 2996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.70
}
]
},
{
"resolution_limits": [2.17,2.06],
"number_observations_unique": 3002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.80
}
]
},
{
"resolution_limits": [2.31,2.17],
"number_observations_unique": 3004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.80
}
]
},
{
"resolution_limits": [2.49,2.31],
"number_observations_unique": 2995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.80
}
]
},
{
"resolution_limits": [2.74,2.49],
"number_observations_unique": 3052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.80
}
]
},
{
"resolution_limits": [3.13,2.74],
"number_observations_unique": 3061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.70
}
]
},
{
"resolution_limits": [3.95,3.13],
"number_observations_unique": 3086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.60
}
]
},
{
"resolution_limits": [37.40,3.95],
"number_observations_unique": 3236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 13.90
}
]
}
]
}