Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "357ea0e00cdbd73b8759e2a3e7d345fd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 192.556,
"b": 117.422,
"c": 68.219,
"alpha": 90.00,
"beta": 95.26,
"gamma": 90.00
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.350],
"number_observations_unique": 62654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.350],
"number_observations_unique": 3068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.729
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.430,2.390],
"number_observations_unique": 3142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.661
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 3072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.643
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 3149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 3107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.650,2.590],
"number_observations_unique": 3136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.710,2.650],
"number_observations_unique": 3147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.790,2.710],
"number_observations_unique": 3106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.870,2.790],
"number_observations_unique": 3134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.960,2.870],
"number_observations_unique": 3165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.070,2.960],
"number_observations_unique": 3087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.190,3.070],
"number_observations_unique": 3135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.330,3.190],
"number_observations_unique": 3150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.510,3.330],
"number_observations_unique": 3119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.730,3.510],
"number_observations_unique": 3142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.020,3.730],
"number_observations_unique": 3161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.420,4.020],
"number_observations_unique": 3113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [5.060,4.420],
"number_observations_unique": 3166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [6.370,5.060],
"number_observations_unique": 3165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [50.000,6.370],
"number_observations_unique": 3190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.600
}
]
}
]
}