Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "898b4287d502cfb9bcf84b30049bc815",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 81.373,
"b": 107.053,
"c": 323.568,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.12700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.000,3.250],
"number_observations": 247146,
"number_observations_unique": 42862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.250],
"number_observations_unique": 1997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.870
},
{
"type": "R(meas)",
"value": 0.952
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [3.370,3.310],
"number_observations_unique": 2021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.767
},
{
"type": "R(meas)",
"value": 0.840
},
{
"type": "R(pim)",
"value": 0.334
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [3.430,3.370],
"number_observations_unique": 2014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.640
},
{
"type": "R(meas)",
"value": 0.701
},
{
"type": "R(pim)",
"value": 0.280
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [3.500,3.430],
"number_observations_unique": 2072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.586
},
{
"type": "R(pim)",
"value": 0.235
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [3.580,3.500],
"number_observations_unique": 2052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "R(meas)",
"value": 0.512
},
{
"type": "R(pim)",
"value": 0.206
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [3.660,3.580],
"number_observations_unique": 2120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "R(meas)",
"value": 0.440
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [3.750,3.660],
"number_observations_unique": 2093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "R(pim)",
"value": 0.151
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [3.850,3.750],
"number_observations_unique": 2111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [3.970,3.850],
"number_observations_unique": 2120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "R(pim)",
"value": 0.119
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [4.090,3.970],
"number_observations_unique": 2149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [4.240,4.090],
"number_observations_unique": 2190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.230
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [4.410,4.240],
"number_observations_unique": 2140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [4.610,4.410],
"number_observations_unique": 2152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [4.850,4.610],
"number_observations_unique": 2171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [5.150,4.850],
"number_observations_unique": 2176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [5.550,5.150],
"number_observations_unique": 2203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [6.110,5.550],
"number_observations_unique": 2217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [6.990,6.110],
"number_observations_unique": 2228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [8.780,6.990],
"number_observations_unique": 2280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [35.000,8.780],
"number_observations_unique": 2356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}