Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "64e90ae9cb44f37022f463eb670c73cd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 141.535,
"b": 53.734,
"c": 181.697,
"alpha": 90.00,
"beta": 92.88,
"gamma": 90.00
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.400],
"number_observations": 118336,
"number_observations_unique": 35403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.417
},
{
"type": "R(pim)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
"refln_shells": [
{
"resolution_limits": [3.480,3.400],
"number_observations_unique": 1986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.959
},
{
"type": "R(meas)",
"value": 1.155
},
{
"type": "R(pim)",
"value": 0.624
},
{
"type": "Completeness",
"value": 79.300
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.456
}
]
},
{
"resolution_limits": [3.570,3.480],
"number_observations_unique": 2081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.932
},
{
"type": "R(meas)",
"value": 1.108
},
{
"type": "R(pim)",
"value": 0.580
},
{
"type": "Completeness",
"value": 82.500
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.496
}
]
},
{
"resolution_limits": [3.660,3.570],
"number_observations_unique": 2191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.952
},
{
"type": "R(meas)",
"value": 1.134
},
{
"type": "R(pim)",
"value": 0.596
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.470
}
]
},
{
"resolution_limits": [3.770,3.660],
"number_observations_unique": 2220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.852
},
{
"type": "R(meas)",
"value": 1.002
},
{
"type": "R(pim)",
"value": 0.512
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.475
}
]
},
{
"resolution_limits": [3.890,3.770],
"number_observations_unique": 2332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.681
},
{
"type": "R(meas)",
"value": 0.796
},
{
"type": "R(pim)",
"value": 0.399
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.596
}
]
},
{
"resolution_limits": [4.030,3.890],
"number_observations_unique": 2325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.652
},
{
"type": "R(meas)",
"value": 0.763
},
{
"type": "R(pim)",
"value": 0.382
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.624
}
]
},
{
"resolution_limits": [4.190,4.030],
"number_observations_unique": 2405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.535
},
{
"type": "R(meas)",
"value": 0.623
},
{
"type": "R(pim)",
"value": 0.309
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.721
}
]
},
{
"resolution_limits": [4.380,4.190],
"number_observations_unique": 2387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.790
}
]
},
{
"resolution_limits": [4.610,4.380],
"number_observations_unique": 2402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "R(meas)",
"value": 0.532
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [4.900,4.610],
"number_observations_unique": 2460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "R(pim)",
"value": 0.209
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [5.280,4.900],
"number_observations_unique": 2431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "R(meas)",
"value": 0.397
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [5.810,5.280],
"number_observations_unique": 2465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.412
},
{
"type": "R(pim)",
"value": 0.197
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
},
{
"resolution_limits": [6.650,5.810],
"number_observations_unique": 2547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [8.370,6.650],
"number_observations_unique": 2565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "R(pim)",
"value": 0.138
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [50.000,8.370],
"number_observations_unique": 2606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
}
]
}