Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ee2d696e14a150485d42f0a452726b53",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 123.744,
"b": 123.744,
"c": 536.440,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.800],
"number_observations_unique": 67806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 69,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "R(pim)",
"value": 0.305
},
{
"type": "Completeness",
"value": 2.300
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.070
}
]
},
{
"resolution_limits": [2.900,2.850],
"number_observations_unique": 2707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "R(pim)",
"value": 0.254
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.002
}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 2977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(meas)",
"value": 0.537
},
{
"type": "R(pim)",
"value": 0.241
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.017
}
]
},
{
"resolution_limits": [3.020,2.960],
"number_observations_unique": 2924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "R(meas)",
"value": 0.525
},
{
"type": "R(pim)",
"value": 0.226
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.024
}
]
},
{
"resolution_limits": [3.080,3.020],
"number_observations_unique": 2963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "R(meas)",
"value": 0.524
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.061
}
]
},
{
"resolution_limits": [3.150,3.080],
"number_observations_unique": 2976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "R(meas)",
"value": 0.513
},
{
"type": "R(pim)",
"value": 0.205
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.142
}
]
},
{
"resolution_limits": [3.230,3.150],
"number_observations_unique": 2955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "R(meas)",
"value": 0.499
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.098
}
]
},
{
"resolution_limits": [3.320,3.230],
"number_observations_unique": 2999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "R(meas)",
"value": 0.492
},
{
"type": "R(pim)",
"value": 0.190
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.176
}
]
},
{
"resolution_limits": [3.420,3.320],
"number_observations_unique": 3008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.441
},
{
"type": "R(meas)",
"value": 0.479
},
{
"type": "R(pim)",
"value": 0.182
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.352
}
]
},
{
"resolution_limits": [3.530,3.420],
"number_observations_unique": 3007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "R(meas)",
"value": 0.482
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [3.650,3.530],
"number_observations_unique": 3043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "R(meas)",
"value": 0.441
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
},
{
"resolution_limits": [3.800,3.650],
"number_observations_unique": 3005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "R(meas)",
"value": 0.427
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
},
{
"resolution_limits": [3.970,3.800],
"number_observations_unique": 3062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.403
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [4.180,3.970],
"number_observations_unique": 3026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(meas)",
"value": 0.347
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [4.440,4.180],
"number_observations_unique": 3093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.790,4.440],
"number_observations_unique": 3087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [5.270,4.790],
"number_observations_unique": 3094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [6.030,5.270],
"number_observations_unique": 3141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.590,6.030],
"number_observations_unique": 3213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 17.400
}
]
},
{
"resolution_limits": [50.000,7.590],
"number_observations_unique": 3463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 22.400
}
]
}
]
}