Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "987aa412622e237596656a8207850309",
"space_group_name": "P 1",
"unit_cell": {
"a": 67.643,
"b": 69.012,
"c": 69.265,
"alpha": 99.02,
"beta": 96.63,
"gamma": 100.28
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,4.9120],
"number_observations": 14123,
"number_observations_unique": 4712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [5.470,4.9120],
"number_observations_unique": 168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [5.570,5.470],
"number_observations_unique": 182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [5.680,5.570],
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [5.790,5.680],
"number_observations_unique": 190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [5.920,5.790],
"number_observations_unique": 195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [6.060,5.920],
"number_observations_unique": 209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [6.210,6.060],
"number_observations_unique": 211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [6.380,6.210],
"number_observations_unique": 190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [6.560,6.380],
"number_observations_unique": 195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [6.780,6.560],
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [7.020,6.780],
"number_observations_unique": 194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [7.300,7.020],
"number_observations_unique": 210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [7.630,7.300],
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [8.030,7.630],
"number_observations_unique": 202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [8.530,8.030],
"number_observations_unique": 209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [9.180,8.530],
"number_observations_unique": 188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [10.100,9.180],
"number_observations_unique": 218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [11.550,10.100],
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [14.490,11.550],
"number_observations_unique": 206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [50.000,14.490],
"number_observations_unique": 175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
}
]
}