Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ab89db3b818edf6ed6ee4cef3ddfd9a",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.629,
"b": 88.629,
"c": 39.243,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.640,1.000],
"number_observations": 1033194,
"number_observations_unique": 162759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 16.140
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.348
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.000],
"number_observations": 145250,
"number_observations_unique": 24858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.920
},
{
"type": "R(meas)",
"value": 1.010
},
{
"type": "I/SigI",
"value": 1.460
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 5.843
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [1.130,1.060],
"number_observations": 156863,
"number_observations_unique": 24862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "R(meas)",
"value": 0.499
},
{
"type": "I/SigI",
"value": 3.110
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.309
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.220,1.130],
"number_observations": 153194,
"number_observations_unique": 23220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 5.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.598
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.340,1.220],
"number_observations": 135969,
"number_observations_unique": 21320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 8.840
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.378
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.500,1.340],
"number_observations": 130391,
"number_observations_unique": 19332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 14.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.745
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.730,1.500],
"number_observations": 109537,
"number_observations_unique": 17095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 25.280
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.408
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.120,1.730],
"number_observations": 92701,
"number_observations_unique": 14460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 39.290
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.411
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.990,2.120],
"number_observations": 68977,
"number_observations_unique": 11271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 49.430
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.120
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [39.640,2.990],
"number_observations": 40312,
"number_observations_unique": 6341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 55.340
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.357
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}