Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31b5d2e3ec3d9929f54b470cf3ddaef7",
"space_group_name": "H 3",
"unit_cell": {
"a": 120.657,
"b": 120.657,
"c": 83.273,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.120,1.680],
"number_observations_unique": 42604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 83.000
},
{
"type": "Redundancy",
"value": 4.730
}
]
},
"refln_shells": [
{
"resolution_limits": [1.74,1.68],
"number_observations": 1447,
"number_observations_unique": 815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 15.80
},
{
"type": "Redundancy",
"value": 1.78
}
]
},
{
"resolution_limits": [1.81,1.74],
"number_observations": 4635,
"number_observations_unique": 2343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 45.90
},
{
"type": "Redundancy",
"value": 1.98
}
]
},
{
"resolution_limits": [1.89,1.81],
"number_observations": 9372,
"number_observations_unique": 3876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 75.10
},
{
"type": "Redundancy",
"value": 2.42
}
]
},
{
"resolution_limits": [1.99,1.89],
"number_observations": 16444,
"number_observations_unique": 4897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.33
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 96.30
},
{
"type": "Redundancy",
"value": 3.36
}
]
},
{
"resolution_limits": [2.12,1.99],
"number_observations": 27335,
"number_observations_unique": 5155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [2.28,2.12],
"number_observations": 26776,
"number_observations_unique": 5029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 97.90
},
{
"type": "Redundancy",
"value": 5.31
}
]
},
{
"resolution_limits": [2.51,2.28],
"number_observations": 28728,
"number_observations_unique": 5106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.61
}
]
},
{
"resolution_limits": [2.88,2.51],
"number_observations": 29403,
"number_observations_unique": 5171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.65
}
]
},
{
"resolution_limits": [3.62,2.88],
"number_observations": 29386,
"number_observations_unique": 5109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 15.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.68
}
]
},
{
"resolution_limits": [65.12,3.62],
"number_observations": 29445,
"number_observations_unique": 5103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 22.5
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 5.61
}
]
}
]
}