Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "174fd9cf1de4073f7009fd7cc34243d0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.498,
"b": 53.873,
"c": 75.126,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.70000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.56,1.030],
"number_observations": 433293,
"number_observations_unique": 66093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 13.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.480
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.030],
"number_observations": 32389,
"number_observations_unique": 4831,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.486
},
{
"type": "R(meas)",
"value": 1.612
},
{
"type": "I/SigI",
"value": 1.240
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.704
},
{
"type": "CC(1/2)",
"value": 0.523
}
]
},
{
"resolution_limits": [1.090,1.060],
"number_observations": 31596,
"number_observations_unique": 4715,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.062
},
{
"type": "R(meas)",
"value": 1.152
},
{
"type": "I/SigI",
"value": 1.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.701
},
{
"type": "CC(1/2)",
"value": 0.696
}
]
},
{
"resolution_limits": [1.120,1.090],
"number_observations": 30298,
"number_observations_unique": 4540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.729
},
{
"type": "R(meas)",
"value": 0.791
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.674
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [1.150,1.120],
"number_observations": 29197,
"number_observations_unique": 4441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.578
},
{
"type": "R(meas)",
"value": 0.628
},
{
"type": "I/SigI",
"value": 3.170
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.574
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [1.190,1.150],
"number_observations": 27283,
"number_observations_unique": 4315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "R(meas)",
"value": 0.510
},
{
"type": "I/SigI",
"value": 3.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.323
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [1.230,1.190],
"number_observations": 25480,
"number_observations_unique": 4191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "I/SigI",
"value": 4.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.080
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [1.280,1.230],
"number_observations": 27755,
"number_observations_unique": 4028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 5.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.891
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [1.330,1.280],
"number_observations": 26742,
"number_observations_unique": 3879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 6.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.894
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.390,1.330],
"number_observations": 25557,
"number_observations_unique": 3738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 8.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.837
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.460,1.390],
"number_observations": 24123,
"number_observations_unique": 3573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 10.140
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.751
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.540,1.460],
"number_observations": 22774,
"number_observations_unique": 3441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 12.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.618
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.630,1.540],
"number_observations": 20008,
"number_observations_unique": 3232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 16.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.191
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.740,1.630],
"number_observations": 17792,
"number_observations_unique": 3045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 19.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.843
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.880,1.740],
"number_observations": 19336,
"number_observations_unique": 2837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 27.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.816
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.060,1.880],
"number_observations": 17896,
"number_observations_unique": 2631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 37.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.802
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.300,2.060],
"number_observations": 15979,
"number_observations_unique": 2391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 43.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.683
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.660,2.300],
"number_observations": 13622,
"number_observations_unique": 2133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 47.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.386
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.260,2.660],
"number_observations": 10428,
"number_observations_unique": 1833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 51.870
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.689
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.610,3.260],
"number_observations": 9564,
"number_observations_unique": 1432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 64.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.679
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [37.560,4.610],
"number_observations": 5474,
"number_observations_unique": 866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 62.650
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.321
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}