Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "315ef40ee83cc16260a06299b74e0a51",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 36.65,
"b": 36.65,
"c": 142.37,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.49,1.79],
"number_observations": 119990,
"number_observations_unique": 9866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 19.18
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.9,1.79],
"number_observations": 18153,
"number_observations_unique": 1544,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.311
},
{
"type": "R(meas)",
"value": 2.416
},
{
"type": "I/SigI",
"value": 0.99
},
{
"type": "CC(1/2)",
"value": 0.419
}
]
},
{
"resolution_limits": [2.03,1.90],
"number_observations": 18861,
"number_observations_unique": 1455,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.138
},
{
"type": "R(meas)",
"value": 1.185
},
{
"type": "I/SigI",
"value": 2.22
},
{
"type": "CC(1/2)",
"value": 0.769
}
]
},
{
"resolution_limits": [2.19,2.03],
"number_observations": 17438,
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "R(meas)",
"value": 0.621
},
{
"type": "I/SigI",
"value": 4.37
},
{
"type": "CC(1/2)",
"value": 0.9059999999999999
}
]
},
{
"resolution_limits": [2.4,2.19],
"number_observations": 14909,
"number_observations_unique": 1254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(meas)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 7.02
},
{
"type": "CC(1/2)",
"value": 0.97
}
]
},
{
"resolution_limits": [2.68,2.40],
"number_observations": 14601,
"number_observations_unique": 1146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 12.03
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.09,2.68],
"number_observations": 13140,
"number_observations_unique": 1044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11599999999999999
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 21.66
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.78,3.09],
"number_observations": 9899,
"number_observations_unique": 887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.052000000000000005
},
{
"type": "I/SigI",
"value": 46.93
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [5.32,3.78],
"number_observations": 8497,
"number_observations_unique": 723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027999999999999997
},
{
"type": "R(meas)",
"value": 0.028999999999999998
},
{
"type": "I/SigI",
"value": 78.29
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
{
"resolution_limits": [35.49,5.32],
"number_observations": 4492,
"number_observations_unique": 451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.022000000000000002
},
{
"type": "I/SigI",
"value": 77.93
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
}
]
}