Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2eca3ac00f5e3f4f7353dd3d7bc17875",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 73.935,
"b": 82.947,
"c": 180.132,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.80],
"number_observations": 1136537,
"number_observations_unique": 102810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.86,1.80],
"number_observations_unique": 10037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.491
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 8.0
},
{
"type": "CC(1/2)",
"value": 0.628
}
]
},
{
"resolution_limits": [1.94,1.86],
"number_observations_unique": 10088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "R(meas)",
"value": 0.452
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 9.0
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [2.03,1.94],
"number_observations_unique": 10168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.392
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 9.7
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [2.13,2.03],
"number_observations_unique": 10193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.340
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 10.3
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.27,2.13],
"number_observations_unique": 10166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 10.8
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [2.44,2.27],
"number_observations_unique": 10232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 11.3
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.69,2.44],
"number_observations_unique": 10298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 11.9
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.08,2.69],
"number_observations_unique": 10375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 12.5
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.88,3.08],
"number_observations_unique": 10439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 13.4
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.00,3.88],
"number_observations_unique": 10814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 13.3
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}