Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c0d2e948729683f83b2c95e19bcc741e",
"space_group_name": "P 43",
"unit_cell": {
"a": 54.95,
"b": 54.95,
"c": 117.43,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.400],
"number_observations": 284826,
"number_observations_unique": 68172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.400],
"number_observations": 52579,
"number_observations_unique": 12739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.742
},
{
"type": "R(meas)",
"value": 0.849
},
{
"type": "I/SigI",
"value": 2.330
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.1
}
]
},
{
"resolution_limits": [1.600,1.500],
"number_observations": 40479,
"number_observations_unique": 9732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.459
},
{
"type": "I/SigI",
"value": 4.230
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.700,1.600],
"number_observations": 31711,
"number_observations_unique": 7575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.800,1.700],
"number_observations": 25235,
"number_observations_unique": 6000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 7.990
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.000,1.800],
"number_observations": 36777,
"number_observations_unique": 8692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 11.650
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.500,2.000],
"number_observations": 48309,
"number_observations_unique": 11441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 24.310
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations": 21290,
"number_observations_unique": 5044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 32.920
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.500,3.000],
"number_observations": 10692,
"number_observations_unique": 2568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 41.960
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 5881,
"number_observations_unique": 1436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 47.600
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 5971,
"number_observations_unique": 1464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 49.010
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 2530,
"number_observations_unique": 625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 48.030
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [8.000,6.000],
"number_observations": 2065,
"number_observations_unique": 507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 48.820
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations": 671,
"number_observations_unique": 178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 47.310
},
{
"type": "Completeness",
"value": 95.700
}
]
},
{
"resolution_limits": [12.000,10.000],
"number_observations": 253,
"number_observations_unique": 69,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 48.410
},
{
"type": "Completeness",
"value": 90.800
}
]
},
{
"resolution_limits": [15.000,12.000],
"number_observations": 206,
"number_observations_unique": 53,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 51.380
},
{
"type": "Completeness",
"value": 88.300
}
]
},
{
"resolution_limits": [20.000,15.000],
"number_observations": 119,
"number_observations_unique": 32,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 48.790
},
{
"type": "Completeness",
"value": 94.100
}
]
},
{
"resolution_limits": [50,20.000],
"number_observations": 58,
"number_observations_unique": 17,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 42.100
},
{
"type": "Completeness",
"value": 65.400
}
]
}
]
}