Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0ce0cd04cc915336085ffce1dc09768e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 93.875,
"b": 109.068,
"c": 150.096,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.987,1.800],
"number_observations": 632948,
"number_observations_unique": 138448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 12.270
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.572
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"number_observations": 94191,
"number_observations_unique": 21082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.595
},
{
"type": "R(meas)",
"value": 0.678
},
{
"type": "I/SigI",
"value": 2.790
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.468
}
]
},
{
"resolution_limits": [2.190,1.900],
"number_observations": 187570,
"number_observations_unique": 41632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 5.410
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.505
}
]
},
{
"resolution_limits": [2.400,2.190],
"number_observations": 85028,
"number_observations_unique": 18670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 9.440
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.554
}
]
},
{
"resolution_limits": [2.680,2.400],
"number_observations": 75789,
"number_observations_unique": 16495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 13.040
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.595
}
]
},
{
"resolution_limits": [3.100,2.680],
"number_observations": 67646,
"number_observations_unique": 14540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 17.550
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.652
}
]
},
{
"resolution_limits": [3.790,3.100],
"number_observations": 55279,
"number_observations_unique": 11822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 24.840
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 4.676
}
]
},
{
"resolution_limits": [5.340,3.790],
"number_observations": 43075,
"number_observations_unique": 9116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 32.040
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 4.725
}
]
},
{
"resolution_limits": [44.987,5.340],
"number_observations": 24370,
"number_observations_unique": 5091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 35.880
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 4.787
}
]
}
]
}