Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af148f75f1957d40765ee49f169f9434",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.265,
"b": 41.292,
"c": 40.978,
"alpha": 90.0,
"beta": 106.4,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.550],
"number_observations_unique": 17366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 40.215
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.61,1.55],
"number_observations_unique": 1616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 92.90
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [1.67,1.61],
"number_observations_unique": 1706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [1.75,1.67],
"number_observations_unique": 1731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [1.84,1.75],
"number_observations_unique": 1731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.95,1.84],
"number_observations_unique": 1776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [2.10,1.95],
"number_observations_unique": 1713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.32,2.10],
"number_observations_unique": 1773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [2.65,2.32],
"number_observations_unique": 1743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [3.34,2.65],
"number_observations_unique": 1758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.40
}
]
},
{
"resolution_limits": [50.00,3.34],
"number_observations_unique": 1819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.70
}
]
}
]
}