Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b651712577b72906812a6e26007da6b3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 89.1,
"b": 113.1,
"c": 151.8,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.000,3.350],
"number_observations": 115461,
"number_observations_unique": 22827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
"refln_shells": [
{
"resolution_limits": [3.470,3.350],
"number_observations_unique": 2209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.758
},
{
"type": "R(meas)",
"value": 0.850
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [3.610,3.470],
"number_observations_unique": 2203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.520
},
{
"type": "R(meas)",
"value": 0.581
},
{
"type": "R(pim)",
"value": 0.253
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [3.770,3.610],
"number_observations_unique": 2239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "R(meas)",
"value": 0.434
},
{
"type": "R(pim)",
"value": 0.190
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [3.970,3.770],
"number_observations_unique": 2237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.295
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [4.220,3.970],
"number_observations_unique": 2271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [4.550,4.220],
"number_observations_unique": 2262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.000,4.550],
"number_observations_unique": 2288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.730,5.000],
"number_observations_unique": 2316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [7.220,5.730],
"number_observations_unique": 2335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [80.000,7.220],
"number_observations_unique": 2467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}