Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc2f4f6fed9076b3fd93a4c5a5e5699f",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 64.358,
"b": 64.358,
"c": 122.059,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00760],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.300],
"number_observations_unique": 11677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations_unique": 567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.769
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [2.380,2.340],
"number_observations_unique": 585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.528
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [2.430,2.380],
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [2.660,2.590],
"number_observations_unique": 581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [2.810,2.730],
"number_observations_unique": 592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [2.900,2.810],
"number_observations_unique": 582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [3.120,3.000],
"number_observations_unique": 598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [3.260,3.120],
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [3.440,3.260],
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations_unique": 457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 76.900
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [3.930,3.650],
"number_observations_unique": 454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 73.800
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
{
"resolution_limits": [4.330,3.930],
"number_observations_unique": 609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [4.950,4.330],
"number_observations_unique": 623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [6.240,4.950],
"number_observations_unique": 628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [50.000,6.240],
"number_observations_unique": 693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 9.900
}
]
}
]
}