Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "91aaecad1b6d3a3e0c6d671983a0d773",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 147.359,
"b": 90.323,
"c": 86.440,
"alpha": 90.00,
"beta": 122.09,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.8500],
"number_observations_unique": 75599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 7426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations_unique": 7525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations_unique": 7521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations_unique": 7545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations_unique": 7553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations_unique": 7554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations_unique": 7580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations_unique": 7573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.090,3.250],
"number_observations_unique": 7628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [30.000,4.090],
"number_observations_unique": 7694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}