Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f07af1dc4323f9598e61285d887ec93b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 172.218,
"b": 122.742,
"c": 175.459,
"alpha": 90.00,
"beta": 118.22,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.400],
"number_observations": 589794,
"number_observations_unique": 87462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
"refln_shells": [
{
"resolution_limits": [3.480,3.400],
"number_observations_unique": 5835,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.582
},
{
"type": "R(meas)",
"value": 1.712
},
{
"type": "R(pim)",
"value": 0.649
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.536
}
]
},
{
"resolution_limits": [3.570,3.480],
"number_observations_unique": 5859,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.207
},
{
"type": "R(meas)",
"value": 1.306
},
{
"type": "R(pim)",
"value": 0.495
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.634
}
]
},
{
"resolution_limits": [3.660,3.570],
"number_observations_unique": 5819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.927
},
{
"type": "R(meas)",
"value": 1.004
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [3.770,3.660],
"number_observations_unique": 5795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.710
},
{
"type": "R(meas)",
"value": 0.769
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
},
{
"resolution_limits": [3.890,3.770],
"number_observations_unique": 5818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.510
},
{
"type": "R(meas)",
"value": 0.555
},
{
"type": "R(pim)",
"value": 0.215
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [4.030,3.890],
"number_observations_unique": 5604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "R(meas)",
"value": 0.376
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [4.190,4.030],
"number_observations_unique": 5856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [4.380,4.190],
"number_observations_unique": 5882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.610,4.380],
"number_observations_unique": 5831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.900,4.610],
"number_observations_unique": 5877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.280,4.900],
"number_observations_unique": 5869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.810,5.280],
"number_observations_unique": 5734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.650,5.810],
"number_observations_unique": 5832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [8.370,6.650],
"number_observations_unique": 5940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.000,8.370],
"number_observations_unique": 5911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}