Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb8851e3024a7be0376d77e97c8ff890",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.628,
"b": 55.206,
"c": 75.039,
"alpha": 90.00,
"beta": 116.24,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.750,1.600],
"number_observations_unique": 53059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.710
}
]
},
"refln_shells": [
{
"resolution_limits": [1.66,1.60],
"number_observations": 28176,
"number_observations_unique": 5040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 92.90
},
{
"type": "Redundancy",
"value": 5.57
}
]
},
{
"resolution_limits": [1.72,1.66],
"number_observations": 34583,
"number_observations_unique": 5140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 94.80
},
{
"type": "Redundancy",
"value": 6.71
}
]
},
{
"resolution_limits": [1.80,1.72],
"number_observations": 34826,
"number_observations_unique": 5176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 95.40
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [1.90,1.80],
"number_observations": 34909,
"number_observations_unique": 5205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 95.50
},
{
"type": "Redundancy",
"value": 6.66
}
]
},
{
"resolution_limits": [2.02,1.90],
"number_observations": 35123,
"number_observations_unique": 5252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 96.50
},
{
"type": "Redundancy",
"value": 6.64
}
]
},
{
"resolution_limits": [2.17,2.02],
"number_observations": 35524,
"number_observations_unique": 5340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 97.70
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [2.39,2.17],
"number_observations": 36459,
"number_observations_unique": 5395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [2.74,2.39],
"number_observations": 38424,
"number_observations_unique": 5472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 6.97
}
]
},
{
"resolution_limits": [3.45,2.74],
"number_observations": 40003,
"number_observations_unique": 5472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 21.2
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 7.26
}
]
},
{
"resolution_limits": [28.75,3.45],
"number_observations": 40780,
"number_observations_unique": 5567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 37.4
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 7.20
}
]
}
]
}