Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "19dc5f9ebbd1c99dbd9637151352ee5c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 36.243,
"b": 51.865,
"c": 81.905,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.400],
"number_observations": 179313,
"number_observations_unique": 30819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.400],
"number_observations_unique": 2014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [1.470,1.440],
"number_observations_unique": 2143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [1.520,1.470],
"number_observations_unique": 2150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [1.570,1.520],
"number_observations_unique": 2173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.620,1.570],
"number_observations_unique": 2164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.690,1.620],
"number_observations_unique": 2170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.760,1.690],
"number_observations_unique": 2189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.860,1.760],
"number_observations_unique": 2205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.970,1.860],
"number_observations_unique": 2206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.130,1.970],
"number_observations_unique": 2214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.340,2.130],
"number_observations_unique": 2239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.680,2.340],
"number_observations_unique": 2241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.370,2.680],
"number_observations_unique": 2285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [50.000,3.370],
"number_observations_unique": 2426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
}
]
}
]
}