Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59e11518d367cdb1bb9763d118932971",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 85.459,
"b": 61.521,
"c": 69.676,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.610],
"number_observations": 237520,
"number_observations_unique": 47520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.610],
"number_observations_unique": 2077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "R(meas)",
"value": 0.430
},
{
"type": "R(pim)",
"value": 0.205
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [1.670,1.640],
"number_observations_unique": 2386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.406
},
{
"type": "R(pim)",
"value": 0.188
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [1.700,1.670],
"number_observations_unique": 2375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.360
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 2372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.305
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [1.770,1.730],
"number_observations_unique": 2362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.277
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [1.810,1.770],
"number_observations_unique": 2405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.860,1.810],
"number_observations_unique": 2403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.910,1.860],
"number_observations_unique": 2353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.970,1.910],
"number_observations_unique": 2387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.030,1.970],
"number_observations_unique": 2383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.100,2.030],
"number_observations_unique": 2389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.190,2.100],
"number_observations_unique": 2383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.280,2.190],
"number_observations_unique": 2379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.400,2.280],
"number_observations_unique": 2393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.560,2.400],
"number_observations_unique": 2390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.750,2.560],
"number_observations_unique": 2403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.030,2.750],
"number_observations_unique": 2396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.470,3.030],
"number_observations_unique": 2405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.370,3.470],
"number_observations_unique": 2408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,4.370],
"number_observations_unique": 2471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}