Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f5d5bbd89addf7110e6af41d7cc753d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.930,
"b": 81.721,
"c": 93.471,
"alpha": 90.00,
"beta": 108.34,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.710,1.51],
"number_observations": 687760,
"number_observations_unique": 94682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 15.950
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.902
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.60,1.51],
"number_observations": 107972,
"number_observations_unique": 16050,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.027
},
{
"type": "R(meas)",
"value": 2.198
},
{
"type": "I/SigI",
"value": 0.71
},
{
"type": "Completeness",
"value": 0.990
},
{
"type": "Redundancy",
"value": 6.73
},
{
"type": "CC(1/2)",
"value": 0.392
}
]
},
{
"resolution_limits": [1.71,1.60],
"number_observations": 104520,
"number_observations_unique": 15127,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.068
},
{
"type": "R(meas)",
"value": 1.156
},
{
"type": "I/SigI",
"value": 1.46
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
},
{
"resolution_limits": [1.85,1.71],
"number_observations": 96921,
"number_observations_unique": 14083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "R(meas)",
"value": 0.577
},
{
"type": "I/SigI",
"value": 3.05
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [2.02,1.85],
"number_observations": 89221,
"number_observations_unique": 13005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 6.78
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.26,2.02],
"number_observations": 80306,
"number_observations_unique": 11731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 14.11
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.85
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.61,2.26],
"number_observations": 73443,
"number_observations_unique": 10395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 24.99
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.07
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.19,2.61],
"number_observations": 60869,
"number_observations_unique": 8805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 39.21
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.50,3.19],
"number_observations": 47722,
"number_observations_unique": 6832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 59.27
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.99
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,4.50],
"number_observations": 26786,
"number_observations_unique": 3861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 65.33
},
{
"type": "Completeness",
"value": 0.994
},
{
"type": "Redundancy",
"value": 6.94
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}