Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12998b00fa7273186b9e4bd7b61227e1",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 42.96,
"b": 85.61,
"c": 63.80,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.749,1.87],
"number_observations_unique": 19759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.96,1.87],
"number_observations": 9788,
"number_observations_unique": 2423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 83.10
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [2.08,1.96],
"number_observations": 11099,
"number_observations_unique": 2692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [2.22,2.08],
"number_observations": 10548,
"number_observations_unique": 2561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [2.40,2.22],
"number_observations": 9899,
"number_observations_unique": 2421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [2.63,2.40],
"number_observations": 9327,
"number_observations_unique": 2238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.94,2.63],
"number_observations": 8617,
"number_observations_unique": 2046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.40,2.94],
"number_observations": 7684,
"number_observations_unique": 1829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 16.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [4.16,3.40],
"number_observations": 6540,
"number_observations_unique": 1561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 17.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [5.88,4.16],
"number_observations": 5160,
"number_observations_unique": 1252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [42.96,5.88],
"number_observations": 2786,
"number_observations_unique": 736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.8
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.80
}
]
}
]
}