{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "acd1591e02c5f7092c98a2df3d20f93d",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 39.426,
"b": 108.102,
"c": 30.219,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.76990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.039,1.907],
"number_observations_unique": 9903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 22.490
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 8.484
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.910],
"number_observations_unique": 510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.544
},
{
"type": "R(meas)",
"value": 0.583
},
{
"type": "I/SigI",
"value": 2.880
},
{
"type": "Completeness",
"value": 68.200
}
]
},
{
"resolution_limits": [2.010,1.960],
"number_observations_unique": 649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "R(meas)",
"value": 0.501
},
{
"type": "I/SigI",
"value": 3.960
},
{
"type": "Completeness",
"value": 85.100
}
]
},
{
"resolution_limits": [2.070,2.010],
"number_observations_unique": 659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "R(meas)",
"value": 0.432
},
{
"type": "I/SigI",
"value": 5.340
},
{
"type": "Completeness",
"value": 91.700
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(meas)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 6.770
},
{
"type": "Completeness",
"value": 92.600
}
]
},
{
"resolution_limits": [2.210,2.140],
"number_observations_unique": 646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 8.620
},
{
"type": "Completeness",
"value": 93.500
}
]
},
{
"resolution_limits": [2.280,2.210],
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 10.850
},
{
"type": "Completeness",
"value": 95.500
}
]
},
{
"resolution_limits": [2.370,2.280],
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 12.120
},
{
"type": "Completeness",
"value": 95.000
}
]
},
{
"resolution_limits": [2.470,2.370],
"number_observations_unique": 590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 13.590
},
{
"type": "Completeness",
"value": 95.600
}
]
},
{
"resolution_limits": [2.580,2.470],
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 16.570
},
{
"type": "Completeness",
"value": 95.800
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations_unique": 542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 19.970
},
{
"type": "Completeness",
"value": 96.400
}
]
},
{
"resolution_limits": [2.850,2.700],
"number_observations_unique": 532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 23.440
},
{
"type": "Completeness",
"value": 96.900
}
]
},
{
"resolution_limits": [3.020,2.850],
"number_observations_unique": 525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 28.250
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [3.230,3.020],
"number_observations_unique": 459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 33.500
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [3.490,3.230],
"number_observations_unique": 458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 40.850
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [3.820,3.490],
"number_observations_unique": 436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 48.630
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [4.270,3.820],
"number_observations_unique": 379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 55.370
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [4.930,4.270],
"number_observations_unique": 352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 56.720
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [6.040,4.930],
"number_observations_unique": 295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 51.700
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [8.540,6.040],
"number_observations_unique": 239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 54.810
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [37.039,8.540],
"number_observations_unique": 152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 68.010
},
{
"type": "Completeness",
"value": 99.300
}
]
}
]
}
|