Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "544e4e983891bb7f302632cc64e404fa",
"space_group_name": "P 61",
"unit_cell": {
"a": 92.938,
"b": 92.938,
"c": 407.651,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00001],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.49,2.080],
"number_observations": 1240593,
"number_observations_unique": 118711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 9.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.451
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,2.080],
"number_observations": 94236,
"number_observations_unique": 8752,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.181
},
{
"type": "R(meas)",
"value": 3.340
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.767
},
{
"type": "CC(1/2)",
"value": 0.201
}
]
},
{
"resolution_limits": [2.190,2.130],
"number_observations": 91540,
"number_observations_unique": 8567,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.534
},
{
"type": "R(meas)",
"value": 2.661
},
{
"type": "I/SigI",
"value": 1.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.685
},
{
"type": "CC(1/2)",
"value": 0.280
}
]
},
{
"resolution_limits": [2.260,2.190],
"number_observations": 88245,
"number_observations_unique": 8343,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.994
},
{
"type": "R(meas)",
"value": 2.095
},
{
"type": "I/SigI",
"value": 1.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.577
},
{
"type": "CC(1/2)",
"value": 0.418
}
]
},
{
"resolution_limits": [2.330,2.260],
"number_observations": 82714,
"number_observations_unique": 8089,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.673
},
{
"type": "R(meas)",
"value": 1.761
},
{
"type": "I/SigI",
"value": 1.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.225
},
{
"type": "CC(1/2)",
"value": 0.523
}
]
},
{
"resolution_limits": [2.400,2.330],
"number_observations": 78947,
"number_observations_unique": 7780,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.341
},
{
"type": "R(meas)",
"value": 1.412
},
{
"type": "I/SigI",
"value": 2.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.147
},
{
"type": "CC(1/2)",
"value": 0.614
}
]
},
{
"resolution_limits": [2.490,2.400],
"number_observations": 81859,
"number_observations_unique": 7579,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.153
},
{
"type": "R(meas)",
"value": 1.211
},
{
"type": "I/SigI",
"value": 3.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.801
},
{
"type": "CC(1/2)",
"value": 0.778
}
]
},
{
"resolution_limits": [2.580,2.490],
"number_observations": 78740,
"number_observations_unique": 7360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.974
},
{
"type": "R(meas)",
"value": 1.024
},
{
"type": "I/SigI",
"value": 3.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.698
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [2.690,2.580],
"number_observations": 73581,
"number_observations_unique": 6994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.736
},
{
"type": "R(meas)",
"value": 0.774
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.521
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [2.800,2.690],
"number_observations": 69428,
"number_observations_unique": 6758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.561
},
{
"type": "R(meas)",
"value": 0.591
},
{
"type": "I/SigI",
"value": 6.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.273
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [2.940,2.800],
"number_observations": 63749,
"number_observations_unique": 6436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "R(meas)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 8.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.905
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [3.100,2.940],
"number_observations": 66487,
"number_observations_unique": 6167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 10.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.781
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.290,3.100],
"number_observations": 61870,
"number_observations_unique": 5779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 13.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.706
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.520,3.290],
"number_observations": 56872,
"number_observations_unique": 5441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 17.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.452
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.800,3.520],
"number_observations": 49296,
"number_observations_unique": 5081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 20.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.702
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.160,3.800],
"number_observations": 49133,
"number_observations_unique": 4672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 24.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.516
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.650,4.160],
"number_observations": 44729,
"number_observations_unique": 4262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 27.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.495
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.370,4.650],
"number_observations": 37537,
"number_observations_unique": 3715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 26.840
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.104
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.580,5.370],
"number_observations": 32836,
"number_observations_unique": 3153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 25.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.414
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [9.300,6.580],
"number_observations": 25761,
"number_observations_unique": 2449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 30.680
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.519
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [63.164,9.300],
"number_observations": 13033,
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 33.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.770
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}