Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca9806689d9bba6627be226c1f70bec5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.576,
"b": 74.805,
"c": 104.974,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.920,1.770],
"number_observations_unique": 34586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 24.660
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 5.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.770],
"number_observations": 4520,
"number_observations_unique": 1859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 5.890
},
{
"type": "Completeness",
"value": 52.100
},
{
"type": "Redundancy",
"value": 2.431
}
]
},
{
"resolution_limits": [1.880,1.830],
"number_observations": 5309,
"number_observations_unique": 1804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 7.690
},
{
"type": "Completeness",
"value": 68.800
},
{
"type": "Redundancy",
"value": 2.943
}
]
},
{
"resolution_limits": [1.950,1.880],
"number_observations": 9645,
"number_observations_unique": 2592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 10.240
},
{
"type": "Completeness",
"value": 79.000
},
{
"type": "Redundancy",
"value": 3.721
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations": 12282,
"number_observations_unique": 2593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 13.340
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 4.737
}
]
},
{
"resolution_limits": [2.100,2.020],
"number_observations": 17160,
"number_observations_unique": 2772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.190
}
]
},
{
"resolution_limits": [2.180,2.100],
"number_observations": 16393,
"number_observations_unique": 2386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 22.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.870
}
]
},
{
"resolution_limits": [2.290,2.180],
"number_observations": 19066,
"number_observations_unique": 2763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 23.880
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.400,2.290],
"number_observations": 15948,
"number_observations_unique": 2293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 25.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.955
}
]
},
{
"resolution_limits": [2.540,2.400],
"number_observations": 16587,
"number_observations_unique": 2383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 26.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.961
}
]
},
{
"resolution_limits": [2.700,2.540],
"number_observations": 15295,
"number_observations_unique": 2180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 28.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.016
}
]
},
{
"resolution_limits": [2.900,2.700],
"number_observations": 14430,
"number_observations_unique": 2049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 30.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.042
}
]
},
{
"resolution_limits": [3.150,2.900],
"number_observations": 13503,
"number_observations_unique": 1918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 32.480
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.040
}
]
},
{
"resolution_limits": [3.490,3.150],
"number_observations": 12760,
"number_observations_unique": 1817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 36.730
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.023
}
]
},
{
"resolution_limits": [3.950,3.490],
"number_observations": 10864,
"number_observations_unique": 1565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 42.360
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.942
}
]
},
{
"resolution_limits": [4.660,3.950],
"number_observations": 9356,
"number_observations_unique": 1373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 44.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.814
}
]
},
{
"resolution_limits": [5.970,4.660],
"number_observations": 7747,
"number_observations_unique": 1149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 43.820
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.742
}
]
},
{
"resolution_limits": [9.540,5.970],
"number_observations": 5208,
"number_observations_unique": 815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 41.270
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.390
}
]
},
{
"resolution_limits": [60.920,9.540],
"number_observations": 1372,
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 39.540
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 4.989
}
]
}
]
}