Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "366923b614112911d25e38f13f6ff47a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.200,
"b": 41.725,
"c": 72.155,
"alpha": 90.00,
"beta": 104.36,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.902,0.950],
"number_observations_unique": 108781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 83.1
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
"refln_shells": [
{
"resolution_limits": [1.050,0.950],
"number_observations": 38311,
"number_observations_unique": 15490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 1.80
},
{
"type": "Completeness",
"value": 81.4
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
{
"resolution_limits": [1.120,1.050],
"number_observations": 38587,
"number_observations_unique": 15298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 2.00
},
{
"type": "Completeness",
"value": 85.1
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
{
"resolution_limits": [1.200,1.120],
"number_observations": 35217,
"number_observations_unique": 13835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 3.90
},
{
"type": "Completeness",
"value": 81.8
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
{
"resolution_limits": [1.290,1.200],
"number_observations": 37672,
"number_observations_unique": 12879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 3.90
},
{
"type": "Completeness",
"value": 81.6
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [1.410,1.290],
"number_observations": 41561,
"number_observations_unique": 11411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 4.40
},
{
"type": "Completeness",
"value": 78.4
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [1.580,1.410],
"number_observations": 49975,
"number_observations_unique": 10405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 5.20
},
{
"type": "Completeness",
"value": 79.2
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
{
"resolution_limits": [1.830,1.580],
"number_observations": 55622,
"number_observations_unique": 10925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.00
},
{
"type": "Completeness",
"value": 93.8
},
{
"type": "Redundancy",
"value": 5.1
}
]
},
{
"resolution_limits": [2.240,1.830],
"number_observations": 41207,
"number_observations_unique": 8254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 7.50
},
{
"type": "Completeness",
"value": 83.7
},
{
"type": "Redundancy",
"value": 5.0
}
]
},
{
"resolution_limits": [3.160,2.240],
"number_observations": 32918,
"number_observations_unique": 6848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 13.10
},
{
"type": "Completeness",
"value": 89.5
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
{
"resolution_limits": [21.077,3.160],
"number_observations": 12047,
"number_observations_unique": 3436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 18.50
},
{
"type": "Completeness",
"value": 80.0
},
{
"type": "Redundancy",
"value": 3.5
}
]
}
]
}