Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "51a217d7674952d68bb4d988d1eeb64a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.94,
"b": 74.35,
"c": 76.62,
"alpha": 90.00,
"beta": 98.02,
"gamma": 90.00
},
"wavelengths": [1.52127],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.200,2.300],
"number_observations_unique": 58090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 10.260
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.287
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.300],
"number_observations": 14271,
"number_observations_unique": 4449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.683
},
{
"type": "R(meas)",
"value": 0.821
},
{
"type": "I/SigI",
"value": 1.680
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.208
},
{
"type": "CC(1/2)",
"value": 0.748
}
]
},
{
"resolution_limits": [2.550,2.420],
"number_observations": 13211,
"number_observations_unique": 3960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "R(meas)",
"value": 0.563
},
{
"type": "I/SigI",
"value": 2.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.336
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [2.690,2.550],
"number_observations": 11187,
"number_observations_unique": 3398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "R(meas)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 3.660
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.292
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [2.860,2.690],
"number_observations": 11385,
"number_observations_unique": 3298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 4.720
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.452
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.040,2.860],
"number_observations": 9280,
"number_observations_unique": 2775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 6.920
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.344
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.250,3.040],
"number_observations": 7760,
"number_observations_unique": 2452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 9.920
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.165
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.500,3.250],
"number_observations": 7443,
"number_observations_unique": 2239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 14.510
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.324
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.780,3.500],
"number_observations": 5619,
"number_observations_unique": 1827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 17.020
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.076
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.120,3.780],
"number_observations": 5429,
"number_observations_unique": 1605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 21.220
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.383
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.510,4.120],
"number_observations": 4385,
"number_observations_unique": 1319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 23.410
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.324
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.000,4.510],
"number_observations": 3635,
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 23.810
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.287
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [48.200,5.000],
"number_observations": 10165,
"number_observations_unique": 3142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 25.530
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.235
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}