Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "819bc8682ff1b8da2951fabf320cd575",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 72.035,
"b": 102.888,
"c": 113.627,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.860,2.120],
"number_observations_unique": 48277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 16.050
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.254
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.120],
"number_observations_unique": 7618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.822
},
{
"type": "R(meas)",
"value": 0.855
},
{
"type": "I/SigI",
"value": 2.920
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 13.246
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [2.410,2.250],
"number_observations_unique": 7244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "R(meas)",
"value": 0.503
},
{
"type": "I/SigI",
"value": 4.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.386
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.600,2.410],
"number_observations_unique": 6766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.195
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.850,2.600],
"number_observations_unique": 6240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 12.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.854
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.180,2.850],
"number_observations_unique": 5653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.163
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.670,3.180],
"number_observations_unique": 5068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 28.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.519
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.490,3.670],
"number_observations_unique": 4293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 33.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.125
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.320,4.490],
"number_observations_unique": 3381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 34.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.772
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [46.860,6.320],
"number_observations_unique": 2014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.835
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}