Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4d90829af5469d071c841c9959ed2440",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 106.524,
"b": 106.524,
"c": 234.378,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97922,0.97875,0.91838],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.548,2.000],
"number_observations_unique": 53741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.11,2.00],
"number_observations": 46753,
"number_observations_unique": 7646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.691
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [2.24,2.11],
"number_observations": 44384,
"number_observations_unique": 7265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [2.39,2.24],
"number_observations": 41733,
"number_observations_unique": 6853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [2.58,2.39],
"number_observations": 39038,
"number_observations_unique": 6419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [2.83,2.58],
"number_observations": 35962,
"number_observations_unique": 5951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [3.16,2.83],
"number_observations": 32587,
"number_observations_unique": 5413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [3.65,3.16],
"number_observations": 28773,
"number_observations_unique": 4813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [4.47,3.65],
"number_observations": 24345,
"number_observations_unique": 4146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 15.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.90
}
]
},
{
"resolution_limits": [6.32,4.47],
"number_observations": 18735,
"number_observations_unique": 3281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 15.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [78.09,6.32],
"number_observations": 9962,
"number_observations_unique": 1954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.1
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 5.10
}
]
}
]
}