Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f16d830f6df4883de6bac73f85f2b7d6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 438.00,
"b": 289.05,
"c": 305.26,
"alpha": 90.00,
"beta": 98.95,
"gamma": 90.00
},
"wavelengths": [1.14800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [122.875,3.450],
"number_observations": 5302502,
"number_observations_unique": 981624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 5.550
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
"refln_shells": [
{
"resolution_limits": [3.500,3.450],
"number_observations": 172581,
"number_observations_unique": 41424,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.380
},
{
"type": "R(meas)",
"value": 1.583
},
{
"type": "I/SigI",
"value": 1.050
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.600,3.500],
"number_observations": 313102,
"number_observations_unique": 75862,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.156
},
{
"type": "R(meas)",
"value": 1.328
},
{
"type": "I/SigI",
"value": 1.240
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.700,3.600],
"number_observations": 275679,
"number_observations_unique": 67991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.943
},
{
"type": "R(meas)",
"value": 1.086
},
{
"type": "I/SigI",
"value": 1.510
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.000,3.700],
"number_observations": 671171,
"number_observations_unique": 165598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.635
},
{
"type": "R(meas)",
"value": 0.731
},
{
"type": "I/SigI",
"value": 2.250
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 1249743,
"number_observations_unique": 306990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "R(meas)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 4.460
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 560142,
"number_observations_unique": 135857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 7.470
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [7.000,6.000],
"number_observations": 756818,
"number_observations_unique": 69263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.786
},
{
"type": "R(meas)",
"value": 0.825
},
{
"type": "I/SigI",
"value": 8.910
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.000,7.000],
"number_observations": 434990,
"number_observations_unique": 38967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(meas)",
"value": 0.575
},
{
"type": "I/SigI",
"value": 11.580
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [9.000,8.000],
"number_observations": 256429,
"number_observations_unique": 23582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "R(meas)",
"value": 0.445
},
{
"type": "I/SigI",
"value": 13.350
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.000,9.000],
"number_observations": 169726,
"number_observations_unique": 15128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 15.820
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50.000,10.000],
"number_observations": 440031,
"number_observations_unique": 40637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 20.290
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [75.000,50.000],
"number_observations": 1845,
"number_observations_unique": 251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 23.620
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [100.000,75.000],
"number_observations": 198,
"number_observations_unique": 54,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 13.470
},
{
"type": "Completeness",
"value": 90.000
}
]
},
{
"resolution_limits": [122.875,100.000],
"number_observations": 47,
"number_observations_unique": 20,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 6.030
},
{
"type": "Completeness",
"value": 40.000
}
]
}
]
}