Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "799eea2a4aa38a8bc235601e01a7db4c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 86.411,
"b": 146.032,
"c": 98.106,
"alpha": 90.00,
"beta": 114.52,
"gamma": 90.00
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40,2.2],
"number_observations_unique": 109505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations_unique": 5300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.694
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.280,2.240],
"number_observations_unique": 5465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.694
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.320,2.280],
"number_observations_unique": 5463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.652
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.370,2.320],
"number_observations_unique": 5483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.529
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 5477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.480,2.420],
"number_observations_unique": 5504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.540,2.480],
"number_observations_unique": 5488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.610,2.540],
"number_observations_unique": 5468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.690,2.610],
"number_observations_unique": 5456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.770,2.690],
"number_observations_unique": 5486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.870,2.770],
"number_observations_unique": 5469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.990,2.870],
"number_observations_unique": 5457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.120,2.990],
"number_observations_unique": 5399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.290,3.120],
"number_observations_unique": 5400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.490,3.290],
"number_observations_unique": 5430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.760,3.490],
"number_observations_unique": 5406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.140,3.760],
"number_observations_unique": 5435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.740,4.140],
"number_observations_unique": 5562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [5.970,4.740],
"number_observations_unique": 5646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [40.000,5.970],
"number_observations_unique": 5711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}