Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d6af02bdaec70e0d869671c07b40c39",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 19.618,
"b": 9.459,
"c": 19.672,
"alpha": 90.00,
"beta": 92.92,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.400],
"number_observations_unique": 1309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 29.300
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.45,1.40],
"number_observations_unique": 92,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 61.70
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [1.51,1.45],
"number_observations_unique": 105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 66.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [1.58,1.51],
"number_observations_unique": 121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 75.20
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [1.66,1.58],
"number_observations_unique": 111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 79.90
},
{
"type": "Redundancy",
"value": 8.00
}
]
},
{
"resolution_limits": [1.76,1.66],
"number_observations_unique": 120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 82.20
},
{
"type": "Redundancy",
"value": 8.80
}
]
},
{
"resolution_limits": [1.90,1.76],
"number_observations_unique": 137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 87.80
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [2.09,1.90],
"number_observations_unique": 142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 95.90
},
{
"type": "Redundancy",
"value": 11.90
}
]
},
{
"resolution_limits": [2.39,2.09],
"number_observations_unique": 166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 12.60
}
]
},
{
"resolution_limits": [3.02,2.39],
"number_observations_unique": 155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 97.50
},
{
"type": "Redundancy",
"value": 12.90
}
]
},
{
"resolution_limits": [50.00,3.02],
"number_observations_unique": 160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 93.60
},
{
"type": "Redundancy",
"value": 13.50
}
]
}
]
}