Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ae973e70dd7c23defb049e33bca408e",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.854,
"b": 71.854,
"c": 151.531,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.173,1.280],
"number_observations": 890260,
"number_observations_unique": 195540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 16.910
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.553
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.280],
"number_observations": 143199,
"number_observations_unique": 31559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.752
},
{
"type": "R(meas)",
"value": 0.853
},
{
"type": "I/SigI",
"value": 1.940
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.538
},
{
"type": "CC(1/2)",
"value": 0.636
}
]
},
{
"resolution_limits": [1.450,1.360],
"number_observations": 130111,
"number_observations_unique": 29747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.564
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.374
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
},
{
"resolution_limits": [1.570,1.450],
"number_observations": 125833,
"number_observations_unique": 27706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.319
},
{
"type": "I/SigI",
"value": 5.210
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.542
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.720,1.570],
"number_observations": 118002,
"number_observations_unique": 25467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 9.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.634
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [1.920,1.720],
"number_observations": 102454,
"number_observations_unique": 23042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 15.640
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.446
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.210,1.920],
"number_observations": 97262,
"number_observations_unique": 20309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 28.140
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.789
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.710,2.210],
"number_observations": 76233,
"number_observations_unique": 17152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 38.030
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.445
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.830,2.710],
"number_observations": 63830,
"number_observations_unique": 13287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 54.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.804
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [48.173,3.830],
"number_observations": 33336,
"number_observations_unique": 7271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 64.510
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.585
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}