Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8a0d7f2c48301ef260df58c077ac0c5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 224.872,
"b": 69.316,
"c": 104.341,
"alpha": 90.00,
"beta": 106.38,
"gamma": 90.00
},
"wavelengths": [1.07500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.690],
"number_observations_unique": 42552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.690],
"number_observations_unique": 2144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.790,2.740],
"number_observations_unique": 2138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.840,2.790],
"number_observations_unique": 2116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.900,2.840],
"number_observations_unique": 2155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 2116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.030,2.960],
"number_observations_unique": 2151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.110,3.030],
"number_observations_unique": 2127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.190,3.110],
"number_observations_unique": 2157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.280,3.190],
"number_observations_unique": 2154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.390,3.280],
"number_observations_unique": 2121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.510,3.390],
"number_observations_unique": 2131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.650,3.510],
"number_observations_unique": 2162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.820,3.650],
"number_observations_unique": 2148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.020,3.820],
"number_observations_unique": 2146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.270,4.020],
"number_observations_unique": 2136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.600,4.270],
"number_observations_unique": 2160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [5.060,4.600],
"number_observations_unique": 2156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [5.790,5.060],
"number_observations_unique": 2182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [7.290,5.790],
"number_observations_unique": 2177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [50.000,7.290],
"number_observations_unique": 1775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 78.400
},
{
"type": "Redundancy",
"value": 3.400
}
]
}
]
}