Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84b73816d4b4e33b8458b9d505375328",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 76.330,
"b": 82.497,
"c": 116.919,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.100],
"number_observations_unique": 43537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations_unique": 2050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.180,2.140],
"number_observations_unique": 2152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 2131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 2140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 2187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 2134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 2183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 2160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.560,2.490],
"number_observations_unique": 2161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.650,2.560],
"number_observations_unique": 2164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.740,2.650],
"number_observations_unique": 2173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations_unique": 2188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations_unique": 2149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations_unique": 2175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.330,3.140],
"number_observations_unique": 2210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.590,3.330],
"number_observations_unique": 2191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [3.950,3.590],
"number_observations_unique": 2212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [4.520,3.950],
"number_observations_unique": 2217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [5.690,4.520],
"number_observations_unique": 2244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [30.000,5.690],
"number_observations_unique": 2316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.500
}
]
}
]
}