Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "83272d71ac65c8b2f0832ed44d744dd0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 226.533,
"b": 134.438,
"c": 162.783,
"alpha": 90.00,
"beta": 97.73,
"gamma": 90.00
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.350],
"number_observations_unique": 68812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
"refln_shells": [
{
"resolution_limits": [3.410,3.350],
"number_observations_unique": 3451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.470,3.410],
"number_observations_unique": 3456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.540,3.470],
"number_observations_unique": 3441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.610,3.540],
"number_observations_unique": 3440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [3.690,3.610],
"number_observations_unique": 3439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.770,3.690],
"number_observations_unique": 3444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.870,3.770],
"number_observations_unique": 3471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.970,3.870],
"number_observations_unique": 3419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.090,3.970],
"number_observations_unique": 3438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.220,4.090],
"number_observations_unique": 3451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.370,4.220],
"number_observations_unique": 3459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.550,4.370],
"number_observations_unique": 3451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.750,4.550],
"number_observations_unique": 3424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [5.000,4.750],
"number_observations_unique": 3458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [5.320,5.000],
"number_observations_unique": 3467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [5.730,5.320],
"number_observations_unique": 3457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [6.300,5.730],
"number_observations_unique": 3477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [7.210,6.300],
"number_observations_unique": 3476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [9.080,7.210],
"number_observations_unique": 3492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [50.000,9.080],
"number_observations_unique": 3201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
}
]
}