{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "414cb91295aed6b32adb6f30d3ae15c8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.307,
"b": 72.894,
"c": 52.891,
"alpha": 90.00,
"beta": 109.61,
"gamma": 90.00
},
"wavelengths": [0.89500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.678,1.410],
"number_observations": 254236,
"number_observations_unique": 61147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 13.160
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.157
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.410],
"number_observations": 40529,
"number_observations_unique": 9588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.465
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 3.190
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [1.600,1.490],
"number_observations": 39373,
"number_observations_unique": 9231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(meas)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 4.660
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [1.720,1.600],
"number_observations": 36766,
"number_observations_unique": 8631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 6.670
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [1.890,1.720],
"number_observations": 33794,
"number_observations_unique": 7999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 10.250
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.110,1.890],
"number_observations": 29969,
"number_observations_unique": 7224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 16.280
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.430,2.110],
"number_observations": 25977,
"number_observations_unique": 6387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 20.840
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.980,2.430],
"number_observations": 21823,
"number_observations_unique": 5453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 24.440
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.200,2.980],
"number_observations": 16764,
"number_observations_unique": 4247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 30.580
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [42.678,4.200],
"number_observations": 9241,
"number_observations_unique": 2387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 32.570
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}
|