Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "38a01901a297d7ad4013b160e8c6b175",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.728,
"b": 88.728,
"c": 39.288,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.920,1.150],
"number_observations": 727633,
"number_observations_unique": 108110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 14.010
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.730
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.150],
"number_observations": 115797,
"number_observations_unique": 17355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.608
},
{
"type": "R(meas)",
"value": 0.660
},
{
"type": "I/SigI",
"value": 2.230
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.672
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [1.300,1.220],
"number_observations": 111311,
"number_observations_unique": 16447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 3.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.768
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [1.410,1.300],
"number_observations": 98419,
"number_observations_unique": 15098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 5.660
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.519
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.540,1.410],
"number_observations": 98790,
"number_observations_unique": 14041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 9.670
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.036
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.730,1.540],
"number_observations": 87021,
"number_observations_unique": 12751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 15.840
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.825
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.990,1.730],
"number_observations": 72345,
"number_observations_unique": 11192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 23.590
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.464
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.440,1.990],
"number_observations": 66735,
"number_observations_unique": 9564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 32.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.978
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.440,2.440],
"number_observations": 48518,
"number_observations_unique": 7453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 34.890
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.510
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [35.920,3.440],
"number_observations": 28697,
"number_observations_unique": 4209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 37.540
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.818
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}