Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "261d5d5b4125f6d9235f3b1537d4ae98",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 106.254,
"b": 106.254,
"c": 157.927,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.990],
"number_observations": 1056419,
"number_observations_unique": 62834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.990],
"number_observations_unique": 3080,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.566
},
{
"type": "R(meas)",
"value": 3.755
},
{
"type": "R(pim)",
"value": 1.157
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.191
}
]
},
{
"resolution_limits": [2.060,2.020],
"number_observations_unique": 3099,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.145
},
{
"type": "R(meas)",
"value": 3.272
},
{
"type": "R(pim)",
"value": 0.893
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.357
}
]
},
{
"resolution_limits": [2.100,2.060],
"number_observations_unique": 3087,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.594
},
{
"type": "R(meas)",
"value": 2.684
},
{
"type": "R(pim)",
"value": 0.685
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.461
}
]
},
{
"resolution_limits": [2.140,2.100],
"number_observations_unique": 3090,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.331
},
{
"type": "R(meas)",
"value": 2.404
},
{
"type": "R(pim)",
"value": 0.582
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 0.530
}
]
},
{
"resolution_limits": [2.190,2.140],
"number_observations_unique": 3089,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.985
},
{
"type": "R(meas)",
"value": 2.042
},
{
"type": "R(pim)",
"value": 0.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [2.240,2.190],
"number_observations_unique": 3116,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.482
},
{
"type": "R(meas)",
"value": 1.526
},
{
"type": "R(pim)",
"value": 0.359
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
},
{
"resolution_limits": [2.300,2.240],
"number_observations_unique": 3090,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.164
},
{
"type": "R(meas)",
"value": 1.201
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [2.360,2.300],
"number_observations_unique": 3116,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.038
},
{
"type": "R(meas)",
"value": 1.069
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.400
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [2.430,2.360],
"number_observations_unique": 3113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.860
},
{
"type": "R(meas)",
"value": 0.884
},
{
"type": "R(pim)",
"value": 0.201
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.600
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [2.510,2.430],
"number_observations_unique": 3116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.703
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.600,2.510],
"number_observations_unique": 3120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(meas)",
"value": 0.603
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.700,2.600],
"number_observations_unique": 3105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "R(meas)",
"value": 0.459
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.700
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.820,2.700],
"number_observations_unique": 3141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.200
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.970,2.820],
"number_observations_unique": 3131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.160,2.970],
"number_observations_unique": 3138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.400,3.160],
"number_observations_unique": 3182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.740,3.400],
"number_observations_unique": 3155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.290,3.740],
"number_observations_unique": 3208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.400,4.290],
"number_observations_unique": 3240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 17.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.000,5.400],
"number_observations_unique": 3418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 17.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}