Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f2502c1750ed93cdac81f6d27002dbe7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 35.473,
"b": 40.424,
"c": 42.004,
"alpha": 90.00,
"beta": 91.88,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.550],
"number_observations": 13348,
"number_observations_unique": 3959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.550],
"number_observations_unique": 179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "R(meas)",
"value": 0.545
},
{
"type": "R(pim)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 2.46
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "R(meas)",
"value": 0.491
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "R(meas)",
"value": 0.473
},
{
"type": "R(pim)",
"value": 0.257
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [2.750,2.690],
"number_observations_unique": 193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.443
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [2.810,2.750],
"number_observations_unique": 189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.376
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [2.870,2.810],
"number_observations_unique": 193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "R(meas)",
"value": 0.338
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [2.940,2.870],
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.020,2.940],
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.232
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [3.110,3.020],
"number_observations_unique": 183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.210,3.110],
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.330,3.210],
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.460,3.330],
"number_observations_unique": 200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.620,3.460],
"number_observations_unique": 210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.810,3.620],
"number_observations_unique": 197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.050,3.810],
"number_observations_unique": 200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.360,4.050],
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.800,4.360],
"number_observations_unique": 204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.490,4.800],
"number_observations_unique": 201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.920,5.490],
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.000,6.920],
"number_observations_unique": 199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}