{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61c3f2694938bd585e81d616a2c9f063",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 35.88,
"b": 146.47,
"c": 72.37,
"alpha": 90.00,
"beta": 99.71,
"gamma": 90.00
},
"wavelengths": [0.97903,0.91837],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.823,2.90],
"number_observations_unique": 15744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 11.660
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 2.931
}
]
},
"refln_shells": [
{
"resolution_limits": [2.970,2.900],
"number_observations": 3331,
"number_observations_unique": 1166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.569
},
{
"type": "R(meas)",
"value": 0.692
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 95.900
}
]
},
{
"resolution_limits": [3.050,2.970],
"number_observations": 3359,
"number_observations_unique": 1138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "R(meas)",
"value": 0.465
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [3.140,3.050],
"number_observations": 3132,
"number_observations_unique": 1090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 95.400
}
]
},
{
"resolution_limits": [3.240,3.140],
"number_observations": 2761,
"number_observations_unique": 1039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 93.100
}
]
},
{
"resolution_limits": [3.340,3.240],
"number_observations": 2992,
"number_observations_unique": 1025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 96.000
}
]
},
{
"resolution_limits": [3.460,3.340],
"number_observations": 3088,
"number_observations_unique": 1022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [3.590,3.460],
"number_observations": 3171,
"number_observations_unique": 1037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [3.740,3.590],
"number_observations": 2820,
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 96.900
}
]
},
{
"resolution_limits": [3.900,3.740],
"number_observations": 2701,
"number_observations_unique": 904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [4.090,3.900],
"number_observations": 2613,
"number_observations_unique": 872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 14.3
},
{
"type": "Completeness",
"value": 96.900
}
]
},
{
"resolution_limits": [4.320,4.090],
"number_observations": 2362,
"number_observations_unique": 794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 15.7
},
{
"type": "Completeness",
"value": 95.500
}
]
},
{
"resolution_limits": [4.580,4.320],
"number_observations": 2243,
"number_observations_unique": 786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 17.8
},
{
"type": "Completeness",
"value": 94.700
}
]
},
{
"resolution_limits": [4.890,4.580],
"number_observations": 1720,
"number_observations_unique": 670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 17.7
},
{
"type": "Completeness",
"value": 91.500
}
]
},
{
"resolution_limits": [5.290,4.890],
"number_observations": 2174,
"number_observations_unique": 694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 20.1
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [5.790,5.290],
"number_observations": 1927,
"number_observations_unique": 630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 19.5
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [6.470,5.790],
"number_observations": 1665,
"number_observations_unique": 538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 18.3
},
{
"type": "Completeness",
"value": 94.100
}
]
},
{
"resolution_limits": [7.480,6.470],
"number_observations": 1499,
"number_observations_unique": 504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 18.3
},
{
"type": "Completeness",
"value": 94.000
}
]
},
{
"resolution_limits": [9.160,7.480],
"number_observations": 1123,
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 24.3
},
{
"type": "Completeness",
"value": 90.300
}
]
},
{
"resolution_limits": [12.950,9.160],
"number_observations": 909,
"number_observations_unique": 306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 30.9
},
{
"type": "Completeness",
"value": 90.800
}
]
},
{
"resolution_limits": [48.823,12.950],
"number_observations": 549,
"number_observations_unique": 177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 34.1
},
{
"type": "Completeness",
"value": 88.500
}
]
}
]
}
|