Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "805ad1f5578077c74e8daab84ba126ec",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 65.43,
"b": 73.39,
"c": 159.29,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.550],
"number_observations_unique": 111431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 15.760
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.5
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 33102,
"number_observations_unique": 8158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "I/SigI",
"value": 2.740
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [1.630,1.590],
"number_observations": 33288,
"number_observations_unique": 7950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "I/SigI",
"value": 3.270
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations": 33250,
"number_observations_unique": 7717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 4.250
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations": 33389,
"number_observations_unique": 7565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 5.440
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations": 33030,
"number_observations_unique": 7325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 6.670
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations": 32666,
"number_observations_unique": 7084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 7.960
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.920,1.850],
"number_observations": 32058,
"number_observations_unique": 6825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 10.350
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.000,1.920],
"number_observations": 31108,
"number_observations_unique": 6593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 12.970
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.090,2.000],
"number_observations": 30187,
"number_observations_unique": 6329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 15.750
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.190,2.090],
"number_observations": 29017,
"number_observations_unique": 6067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 18.360
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.310,2.190],
"number_observations": 27593,
"number_observations_unique": 5764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 20.840
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.450,2.310],
"number_observations": 26197,
"number_observations_unique": 5473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 23.170
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.620,2.450],
"number_observations": 24553,
"number_observations_unique": 5168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 25.620
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.830,2.620],
"number_observations": 22637,
"number_observations_unique": 4812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 28.550
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.100,2.830],
"number_observations": 20385,
"number_observations_unique": 4411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 31.240
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.470,3.100],
"number_observations": 18193,
"number_observations_unique": 4036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 33.790
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [4.000,3.470],
"number_observations": 15586,
"number_observations_unique": 3519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 35.390
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [4.900,4.000],
"number_observations": 13959,
"number_observations_unique": 2999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 37.520
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [6.930,4.900],
"number_observations": 10882,
"number_observations_unique": 2341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 36.460
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [50,6.930],
"number_observations": 5754,
"number_observations_unique": 1295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 36.690
},
{
"type": "Completeness",
"value": 91.500
}
]
}
]
}