Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ee2665b01b5c64b5aacbda810b8f0d50",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 89.906,
"b": 89.906,
"c": 106.778,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.911,1.540],
"number_observations": 731302,
"number_observations_unique": 141912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 13.760
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.540],
"number_observations": 109478,
"number_observations_unique": 22940,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.106
},
{
"type": "R(meas)",
"value": 1.245
},
{
"type": "I/SigI",
"value": 1.130
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.512
}
]
},
{
"resolution_limits": [1.750,1.640],
"number_observations": 114807,
"number_observations_unique": 21590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.678
},
{
"type": "R(meas)",
"value": 0.753
},
{
"type": "I/SigI",
"value": 2.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [1.890,1.750],
"number_observations": 102350,
"number_observations_unique": 20090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "R(meas)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 4.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [2.070,1.890],
"number_observations": 96458,
"number_observations_unique": 18486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 8.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.310,2.070],
"number_observations": 88508,
"number_observations_unique": 16697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 15.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.670,2.310],
"number_observations": 75926,
"number_observations_unique": 14714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 22.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.270,2.670],
"number_observations": 66730,
"number_observations_unique": 12460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 32.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.620,3.270],
"number_observations": 49219,
"number_observations_unique": 9630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 42.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [62.911,4.620],
"number_observations": 27826,
"number_observations_unique": 5305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 47.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}