Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9159cd415acfae64287ab37da83ff02e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.917,
"b": 81.897,
"c": 93.799,
"alpha": 90.0,
"beta": 108.9,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.95,1.51],
"number_observations": 688731,
"number_observations_unique": 97271,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 12.34
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 7.08
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [40.95,4.50],
"number_observations": 26403,
"number_observations_unique": 3841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 59.37
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.95,3.19],
"number_observations": 46563,
"number_observations_unique": 6764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 51.46
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.95,2.61],
"number_observations": 60801,
"number_observations_unique": 8712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 30.25
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 6.98
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.95,2.26],
"number_observations": 74611,
"number_observations_unique": 10304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 17.10
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 7.24
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [40.95,2.02],
"number_observations": 81035,
"number_observations_unique": 11518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 8.55
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 7.04
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [40.95,1.85],
"number_observations": 89575,
"number_observations_unique": 12692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "R(meas)",
"value": 0.422
},
{
"type": "I/SigI",
"value": 3.83
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 7.06
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [40.95,1.71],
"number_observations": 97249,
"number_observations_unique": 13674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.89
},
{
"type": "R(meas)",
"value": 0.959
},
{
"type": "I/SigI",
"value": 1.63
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 7.11
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
},
{
"resolution_limits": [40.95,1.60],
"number_observations": 104750,
"number_observations_unique": 14629,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.845
},
{
"type": "R(meas)",
"value": 1.988
},
{
"type": "I/SigI",
"value": 0.72
},
{
"type": "Completeness",
"value": 96.4
},
{
"type": "Redundancy",
"value": 7.16
},
{
"type": "CC(1/2)",
"value": 0.609
}
]
},
{
"resolution_limits": [40.95,1.51],
"number_observations": 107744,
"number_observations_unique": 15137,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.586
},
{
"type": "R(meas)",
"value": 3.863
},
{
"type": "I/SigI",
"value": 0.32
},
{
"type": "Completeness",
"value": 93.9
},
{
"type": "Redundancy",
"value": 7.12
},
{
"type": "CC(1/2)",
"value": 0.318
}
]
}
]
}