Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "20d76c491576ca71b72ffa1ff482cff9",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 61.40,
"b": 61.40,
"c": 118.31,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97880],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.001,2.750],
"number_observations_unique": 6371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 33.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.820,2.750],
"number_observations": 3932,
"number_observations_unique": 458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [2.900,2.820],
"number_observations": 3680,
"number_observations_unique": 441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [2.980,2.900],
"number_observations": 3610,
"number_observations_unique": 429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [3.070,2.980],
"number_observations": 3690,
"number_observations_unique": 425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.700
}
]
},
{
"resolution_limits": [3.180,3.070],
"number_observations": 3458,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [3.290,3.180],
"number_observations": 3147,
"number_observations_unique": 393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [3.410,3.290],
"number_observations": 3238,
"number_observations_unique": 396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [3.550,3.410],
"number_observations": 2998,
"number_observations_unique": 354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [3.710,3.550],
"number_observations": 2863,
"number_observations_unique": 365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [3.890,3.710],
"number_observations": 2858,
"number_observations_unique": 340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [4.100,3.890],
"number_observations": 2713,
"number_observations_unique": 330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [4.350,4.100],
"number_observations": 2458,
"number_observations_unique": 313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 22.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [4.650,4.350],
"number_observations": 2454,
"number_observations_unique": 292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [5.020,4.650],
"number_observations": 2185,
"number_observations_unique": 278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 26.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [5.500,5.020],
"number_observations": 2169,
"number_observations_unique": 264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [6.150,5.500],
"number_observations": 1849,
"number_observations_unique": 238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [7.100,6.150],
"number_observations": 1594,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [8.700,7.100],
"number_observations": 1433,
"number_observations_unique": 193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 26.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [12.300,8.700],
"number_observations": 1044,
"number_observations_unique": 154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 33.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [35.001,12.300],
"number_observations": 558,
"number_observations_unique": 93,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 41.300
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
}
]
}