Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a6dbcaeef9e8e5338307e810fddb1a96",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 71.60,
"b": 71.76,
"c": 86.21,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.890,1.950],
"number_observations_unique": 32545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.650
}
]
},
"refln_shells": [
{
"resolution_limits": [2.02,1.95],
"number_observations": 14606,
"number_observations_unique": 3240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.48
}
]
},
{
"resolution_limits": [2.10,2.02],
"number_observations": 14751,
"number_observations_unique": 3254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.20,2.10],
"number_observations": 14899,
"number_observations_unique": 3244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 4.56
}
]
},
{
"resolution_limits": [2.31,2.20],
"number_observations": 14941,
"number_observations_unique": 3256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 4.55
}
]
},
{
"resolution_limits": [2.46,2.31],
"number_observations": 15237,
"number_observations_unique": 3260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 4.64
}
]
},
{
"resolution_limits": [2.65,2.46],
"number_observations": 15215,
"number_observations_unique": 3235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 4.67
}
]
},
{
"resolution_limits": [2.91,2.65],
"number_observations": 15426,
"number_observations_unique": 3239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 4.74
}
]
},
{
"resolution_limits": [3.33,2.91],
"number_observations": 15669,
"number_observations_unique": 3263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 15.4
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 4.77
}
]
},
{
"resolution_limits": [4.19,3.33],
"number_observations": 15817,
"number_observations_unique": 3259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 22.6
},
{
"type": "Completeness",
"value": 97.20
},
{
"type": "Redundancy",
"value": 4.81
}
]
},
{
"resolution_limits": [19.89,4.19],
"number_observations": 15763,
"number_observations_unique": 3295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 28.5
},
{
"type": "Completeness",
"value": 94.50
},
{
"type": "Redundancy",
"value": 4.74
}
]
}
]
}