Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6293e89ee6f45f189887d43d2305f289",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 36.940,
"b": 95.616,
"c": 54.031,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.000,1.900],
"number_observations_unique": 7854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations_unique": 377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [1.970,1.930],
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.010,1.970],
"number_observations_unique": 383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.140,2.090],
"number_observations_unique": 391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.190,2.140],
"number_observations_unique": 392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.250,2.190],
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.320,2.250],
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations_unique": 373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.840,2.700],
"number_observations_unique": 396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [3.010,2.840],
"number_observations_unique": 385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [3.250,3.010],
"number_observations_unique": 391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [3.570,3.250],
"number_observations_unique": 396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [4.090,3.570],
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [5.140,4.090],
"number_observations_unique": 410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [25.000,5.140],
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.700
}
]
}
]
}