Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27c6a8bb6b69008535ecdc9982bcc2d9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 161.094,
"b": 180.337,
"c": 202.008,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.941,2.800],
"number_observations_unique": 144506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.277
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations_unique": 20824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.829
},
{
"type": "R(meas)",
"value": 0.860
},
{
"type": "R(pim)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.130,2.950],
"number_observations_unique": 19785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.590
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [3.350,3.130],
"number_observations_unique": 18689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "R(meas)",
"value": 0.457
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
{
"resolution_limits": [3.620,3.350],
"number_observations_unique": 17397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
}
]
},
{
"resolution_limits": [3.960,3.620],
"number_observations_unique": 16044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [4.430,3.960],
"number_observations_unique": 14540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [5.110,4.430],
"number_observations_unique": 12886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
}
]
},
{
"resolution_limits": [6.260,5.110],
"number_observations_unique": 10977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
}
]
},
{
"resolution_limits": [8.860,6.260],
"number_observations_unique": 8592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
}
]
},
{
"resolution_limits": [29.941,8.860],
"number_observations_unique": 4772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 12.000
}
]
}
]
}