Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bb6e07e4eb808f5fcda550cc534b56d7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.667,
"b": 53.528,
"c": 74.591,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99985],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.49,1.460],
"number_observations": 142032,
"number_observations_unique": 23233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.070
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.460],
"number_observations": 5906,
"number_observations_unique": 1484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.851
},
{
"type": "R(meas)",
"value": 0.976
},
{
"type": "I/SigI",
"value": 1.950
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 3.980
},
{
"type": "CC(1/2)",
"value": 0.631
}
]
},
{
"resolution_limits": [1.540,1.500],
"number_observations": 10436,
"number_observations_unique": 1658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.711
},
{
"type": "R(meas)",
"value": 0.777
},
{
"type": "I/SigI",
"value": 3.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.294
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [1.580,1.540],
"number_observations": 10074,
"number_observations_unique": 1600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.562
},
{
"type": "R(meas)",
"value": 0.614
},
{
"type": "I/SigI",
"value": 4.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.296
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [1.630,1.580],
"number_observations": 9732,
"number_observations_unique": 1588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "R(meas)",
"value": 0.499
},
{
"type": "I/SigI",
"value": 5.510
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.128
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [1.690,1.630],
"number_observations": 8952,
"number_observations_unique": 1509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 6.170
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.932
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [1.750,1.690],
"number_observations": 9569,
"number_observations_unique": 1472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 7.830
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.501
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [1.810,1.750],
"number_observations": 9365,
"number_observations_unique": 1444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 9.530
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.485
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [1.880,1.810],
"number_observations": 8672,
"number_observations_unique": 1353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 11.970
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.409
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.970,1.880],
"number_observations": 8097,
"number_observations_unique": 1328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 14.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.097
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.060,1.970],
"number_observations": 8125,
"number_observations_unique": 1278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 17.190
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.358
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.180,2.060],
"number_observations": 7969,
"number_observations_unique": 1210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 19.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.586
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.310,2.180],
"number_observations": 7481,
"number_observations_unique": 1148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 22.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.517
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.470,2.310],
"number_observations": 6720,
"number_observations_unique": 1070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 22.690
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.280
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.670,2.470],
"number_observations": 6220,
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 25.270
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.128
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.920,2.670],
"number_observations": 6180,
"number_observations_unique": 939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 28.260
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.581
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.260,2.920],
"number_observations": 5445,
"number_observations_unique": 868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 30.680
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.273
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.770,3.260],
"number_observations": 4240,
"number_observations_unique": 741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 32.550
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.722
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.620,3.770],
"number_observations": 4135,
"number_observations_unique": 666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 35.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.209
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.530,4.620],
"number_observations": 3068,
"number_observations_unique": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 33.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [43.480,6.530],
"number_observations": 1646,
"number_observations_unique": 321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.128
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}