Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fef09ff19db9083560fd9fe85839a0ce",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 41.463,
"b": 41.463,
"c": 88.724,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.838,1.700],
"number_observations": 241845,
"number_observations_unique": 9012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 43.040
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.700],
"number_observations": 39433,
"number_observations_unique": 1430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 11.420
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.930,1.800],
"number_observations": 37386,
"number_observations_unique": 1332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 18.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.080,1.930],
"number_observations": 34754,
"number_observations_unique": 1251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 25.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.280,2.080],
"number_observations": 32081,
"number_observations_unique": 1159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 36.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.550,2.280],
"number_observations": 28836,
"number_observations_unique": 1055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 50.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.940,2.550],
"number_observations": 25567,
"number_observations_unique": 958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 65.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [3.590,2.940],
"number_observations": 20685,
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 85.020
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [5.030,3.590],
"number_observations": 15396,
"number_observations_unique": 649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 90.940
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [27.838,5.030],
"number_observations": 7707,
"number_observations_unique": 372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 78.650
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}