Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc1881044935a1c7d15d5946fa05f74a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.08,
"b": 68.54,
"c": 110.82,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.513,1.5990],
"number_observations_unique": 60405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 22.080
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.171
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 13900,
"number_observations_unique": 4144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 3.970
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.354
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [1.690,1.640],
"number_observations": 17664,
"number_observations_unique": 4219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 5.560
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.187
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [1.730,1.690],
"number_observations": 18779,
"number_observations_unique": 4144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.532
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations": 20215,
"number_observations_unique": 4086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 9.040
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.947
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations": 22227,
"number_observations_unique": 3963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 11.730
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.609
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.910,1.850],
"number_observations": 22033,
"number_observations_unique": 3880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 14.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.679
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.980,1.910],
"number_observations": 20680,
"number_observations_unique": 3734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 17.220
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.538
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.060,1.980],
"number_observations": 19995,
"number_observations_unique": 3613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 20.580
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.534
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.160,2.060],
"number_observations": 19621,
"number_observations_unique": 3459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 24.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.672
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.260,2.160],
"number_observations": 18327,
"number_observations_unique": 3294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 27.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.564
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.380,2.260],
"number_observations": 17327,
"number_observations_unique": 3167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 29.370
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.471
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.530,2.380],
"number_observations": 16988,
"number_observations_unique": 2998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 32.630
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.666
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.700,2.530],
"number_observations": 15438,
"number_observations_unique": 2802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 34.320
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.510
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.920,2.700],
"number_observations": 14218,
"number_observations_unique": 2615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 36.550
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.437
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.200,2.920],
"number_observations": 13486,
"number_observations_unique": 2423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 39.420
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.566
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.580,3.200],
"number_observations": 11495,
"number_observations_unique": 2199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 40.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.227
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.130,3.580],
"number_observations": 10784,
"number_observations_unique": 1951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 43.460
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.527
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.060,4.130],
"number_observations": 8721,
"number_observations_unique": 1679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 42.620
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.194
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.150,5.060],
"number_observations": 7014,
"number_observations_unique": 1301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 43.020
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.391
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [27.513,7.150],
"number_observations": 3460,
"number_observations_unique": 734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 41.160
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 4.714
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}