Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a7b49ae036ad09dc87d9619162831716",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 120.00,
"b": 102.18,
"c": 69.00,
"alpha": 90.00,
"beta": 98.89,
"gamma": 90.00
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.656,2.400],
"number_observations": 229827,
"number_observations_unique": 32166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.145
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.500,2.400],
"number_observations_unique": 3666,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.218
},
{
"type": "R(meas)",
"value": 2.380
},
{
"type": "I/SigI",
"value": 0.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.611
},
{
"type": "CC(1/2)",
"value": 0.444
}
]
},
{
"resolution_limits": [2.600,2.500],
"number_observations_unique": 3152,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.561
},
{
"type": "R(meas)",
"value": 1.675
},
{
"type": "I/SigI",
"value": 1.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.606
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [2.700,2.600],
"number_observations_unique": 2689,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.233
},
{
"type": "R(meas)",
"value": 1.324
},
{
"type": "I/SigI",
"value": 1.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.548
},
{
"type": "CC(1/2)",
"value": 0.766
}
]
},
{
"resolution_limits": [2.800,2.700],
"number_observations_unique": 2358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.928
},
{
"type": "R(meas)",
"value": 0.997
},
{
"type": "I/SigI",
"value": 1.820
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.530
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [2.900,2.800],
"number_observations_unique": 2008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.665
},
{
"type": "R(meas)",
"value": 0.715
},
{
"type": "I/SigI",
"value": 2.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.534
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 1775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.504
},
{
"type": "R(meas)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 3.360
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [3.200,3.000],
"number_observations_unique": 2862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "R(meas)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 4.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.427
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.400,3.200],
"number_observations_unique": 2271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 6.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.366
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.600,3.400],
"number_observations_unique": 1795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 9.720
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.228
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.800,3.600],
"number_observations_unique": 1428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.296
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.000,3.800],
"number_observations_unique": 1147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 14.320
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.102
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations_unique": 3424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 18.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.073
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations_unique": 1509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 19.720
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.972
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [8.000,6.000],
"number_observations_unique": 1195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 16.580
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.529
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations_unique": 440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 17.620
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.341
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [15.000,10.000],
"number_observations_unique": 314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 18.080
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.376
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [20.000,15.000],
"number_observations_unique": 81,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 18.740
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.519
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [41.656,20.000],
"number_observations_unique": 52,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 17.590
},
{
"type": "Completeness",
"value": 83.900
},
{
"type": "Redundancy",
"value": 3.135
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}