Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f532bffe250438223efdec6e842d80e9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 436.02,
"b": 287.59,
"c": 304.52,
"alpha": 90.00,
"beta": 99.02,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.817,3.200],
"number_observations": 7440724,
"number_observations_unique": 1214490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 6.460
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.22
}
]
},
"refln_shells": [
{
"resolution_limits": [3.300,3.200],
"number_observations": 664307,
"number_observations_unique": 106846,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.664
},
{
"type": "R(meas)",
"value": 1.816
},
{
"type": "I/SigI",
"value": 1.220
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.400,3.300],
"number_observations": 567865,
"number_observations_unique": 94588,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.310
},
{
"type": "R(meas)",
"value": 1.435
},
{
"type": "I/SigI",
"value": 1.540
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.600,3.400],
"number_observations": 989208,
"number_observations_unique": 159368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.957
},
{
"type": "R(meas)",
"value": 1.045
},
{
"type": "I/SigI",
"value": 2.130
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.800,3.600],
"number_observations": 772892,
"number_observations_unique": 127557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.652
},
{
"type": "R(meas)",
"value": 0.713
},
{
"type": "I/SigI",
"value": 3.070
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.000,3.800],
"number_observations": 639122,
"number_observations_unique": 103269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.464
},
{
"type": "R(meas)",
"value": 0.507
},
{
"type": "I/SigI",
"value": 4.250
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.200,4.000],
"number_observations": 517520,
"number_observations_unique": 84612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 5.310
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.400,4.200],
"number_observations": 426039,
"number_observations_unique": 69957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 6.290
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.600,4.400],
"number_observations": 366860,
"number_observations_unique": 58313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 7.410
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.800,4.600],
"number_observations": 302018,
"number_observations_unique": 49038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 8.270
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.000,4.800],
"number_observations": 244935,
"number_observations_unique": 41506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.000,5.000],
"number_observations": 1493018,
"number_observations_unique": 241329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 11.430
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations": 228204,
"number_observations_unique": 38207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 17.090
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [40.000,10.000],
"number_observations": 227730,
"number_observations_unique": 39613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 22.320
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [49.817,40.000],
"number_observations": 1006,
"number_observations_unique": 287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 24.650
},
{
"type": "Completeness",
"value": 42.100
}
]
}
]
}