Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4236d0c0489a4d76a6c0c5988ec4ef4a",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.767,
"b": 88.767,
"c": 39.496,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.700,1.000],
"number_observations": 1036790,
"number_observations_unique": 165032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 11.430
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.282
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.000],
"number_observations": 144129,
"number_observations_unique": 25880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.709
},
{
"type": "R(meas)",
"value": 0.782
},
{
"type": "I/SigI",
"value": 1.410
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.569
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [1.130,1.060],
"number_observations": 158407,
"number_observations_unique": 25098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 3.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.312
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [1.220,1.130],
"number_observations": 153898,
"number_observations_unique": 23382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 5.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.582
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.340,1.220],
"number_observations": 136514,
"number_observations_unique": 21521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 8.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.343
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.500,1.340],
"number_observations": 131136,
"number_observations_unique": 19531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 12.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.714
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.730,1.500],
"number_observations": 109222,
"number_observations_unique": 17229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 18.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.339
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.120,1.730],
"number_observations": 93440,
"number_observations_unique": 14626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 25.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.389
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.990,2.120],
"number_observations": 69617,
"number_observations_unique": 11352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 29.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.133
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [39.700,2.990],
"number_observations": 40427,
"number_observations_unique": 6413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 31.170
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.304
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}