Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd8a61c2719343f318fa846f8bed3610",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 266.441,
"b": 297.181,
"c": 92.015,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.930,3.500],
"number_observations": 1401490,
"number_observations_unique": 177687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.887
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.710,3.500],
"number_observations": 225207,
"number_observations_unique": 28518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.942
},
{
"type": "R(meas)",
"value": 1.007
},
{
"type": "I/SigI",
"value": 2.250
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.897
},
{
"type": "CC(1/2)",
"value": 0.738
}
]
},
{
"resolution_limits": [3.970,3.710],
"number_observations": 213737,
"number_observations_unique": 26965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "R(meas)",
"value": 0.581
},
{
"type": "I/SigI",
"value": 3.910
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.926
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [4.280,3.970],
"number_observations": 197745,
"number_observations_unique": 24948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 6.430
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.926
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [4.690,4.280],
"number_observations": 182856,
"number_observations_unique": 23121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.909
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [5.230,4.690],
"number_observations": 165370,
"number_observations_unique": 20903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 12.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.911
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [6.030,5.230],
"number_observations": 146342,
"number_observations_unique": 18494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 12.180
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.913
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [7.360,6.030],
"number_observations": 123297,
"number_observations_unique": 15625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 16.970
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.891
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [10.300,7.360],
"number_observations": 95196,
"number_observations_unique": 12185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 37.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.813
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [31.930,10.300],
"number_observations": 51740,
"number_observations_unique": 6928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 50.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.468
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}