Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd0c0002a65878eae2bac68fb5c0be69",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 35.456,
"b": 55.698,
"c": 74.889,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.44,1.170],
"number_observations": 262778,
"number_observations_unique": 49500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 14.040
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.250
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.170],
"number_observations": 7912,
"number_observations_unique": 2960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "R(meas)",
"value": 0.512
},
{
"type": "I/SigI",
"value": 2.130
},
{
"type": "Completeness",
"value": 80.500
},
{
"type": "Redundancy",
"value": 2.673
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [1.240,1.200],
"number_observations": 13236,
"number_observations_unique": 3532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 3.020
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.747
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [1.270,1.240],
"number_observations": 14359,
"number_observations_unique": 3468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 3.390
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.140
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [1.310,1.270],
"number_observations": 14367,
"number_observations_unique": 3304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 3.990
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.348
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.360,1.310],
"number_observations": 16991,
"number_observations_unique": 3284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 5.240
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.174
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [1.400,1.360],
"number_observations": 17667,
"number_observations_unique": 3188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 6.160
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.542
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.460,1.400],
"number_observations": 17481,
"number_observations_unique": 3049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 7.890
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.733
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.510,1.460],
"number_observations": 16295,
"number_observations_unique": 2962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 9.630
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.501
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.580,1.510],
"number_observations": 17877,
"number_observations_unique": 2854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 13.390
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.264
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.660,1.580],
"number_observations": 17162,
"number_observations_unique": 2699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 16.250
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.359
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.750,1.660],
"number_observations": 16337,
"number_observations_unique": 2600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 20.160
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.283
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.860,1.750],
"number_observations": 14032,
"number_observations_unique": 2429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 22.760
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.777
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.980,1.860],
"number_observations": 14117,
"number_observations_unique": 2315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 29.770
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.098
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.140,1.980],
"number_observations": 13775,
"number_observations_unique": 2166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 34.890
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.360
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.350,2.140],
"number_observations": 11892,
"number_observations_unique": 1995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 37.530
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.961
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.620,2.350],
"number_observations": 10028,
"number_observations_unique": 1797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 38.410
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.580
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.030,2.620],
"number_observations": 10213,
"number_observations_unique": 1628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 44.310
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.273
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.710,3.030],
"number_observations": 8689,
"number_observations_unique": 1387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 47.960
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.265
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.250,3.710],
"number_observations": 6196,
"number_observations_unique": 1101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 46.560
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.628
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [37.440,5.250],
"number_observations": 4152,
"number_observations_unique": 665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 48.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.244
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}