Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b17b6cd8673a7d2dd5aa2d2754e81ec",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 66.773,
"b": 66.773,
"c": 174.237,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.39],
"number_observations_unique": 16468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 11.33
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 12.6
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [2.45,2.39],
"number_observations_unique": 1142,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.371
},
{
"type": "R(meas)",
"value": 0.738
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [2.52,2.45],
"number_observations_unique": 1140,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.044
},
{
"type": "R(meas)",
"value": 0.602
},
{
"type": "CC(1/2)",
"value": 0.9209999999999999
}
]
},
{
"resolution_limits": [2.59,2.52],
"number_observations_unique": 1123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.71
},
{
"type": "R(meas)",
"value": 0.478
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.67,2.59],
"number_observations_unique": 1118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.578
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.76,2.67],
"number_observations_unique": 1051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.45799999999999996
},
{
"type": "R(meas)",
"value": 0.3
},
{
"type": "CC(1/2)",
"value": 0.9840000000000001
}
]
},
{
"resolution_limits": [2.85,2.76],
"number_observations_unique": 1040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "CC(1/2)",
"value": 0.9890000000000001
}
]
},
{
"resolution_limits": [2.96,2.85],
"number_observations_unique": 1008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.28800000000000003
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "CC(1/2)",
"value": 0.9890000000000001
}
]
},
{
"resolution_limits": [3.08,2.96],
"number_observations_unique": 939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.22,3.08],
"number_observations_unique": 940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.19
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.37,3.22],
"number_observations_unique": 902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [3.56,3.37],
"number_observations_unique": 847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.11900000000000001
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.77,3.56],
"number_observations_unique": 804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.12300000000000001
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [4.03,3.77],
"number_observations_unique": 766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.10300000000000001
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.36,4.03],
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1
},
{
"type": "R(meas)",
"value": 0.1
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [4.77,4.36],
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.10300000000000001
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [5.34,4.77],
"number_observations_unique": 608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [6.16,5.34],
"number_observations_unique": 544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.09300000000000001
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [7.55,6.16],
"number_observations_unique": 474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09699999999999999
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [10.67,7.55],
"number_observations_unique": 383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08800000000000001
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.45,2.39],
"number_observations_unique": 244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09300000000000001
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}