Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "553aacc0b1d79f8f443f53a6ace582d9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 169.26,
"b": 81.24,
"c": 58.23,
"alpha": 90.00,
"beta": 101.14,
"gamma": 90.00
},
"wavelengths": [0.99200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.750],
"number_observations_unique": 77622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 14.440
},
{
"type": "Completeness",
"value": 98.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.750],
"number_observations": 38495,
"number_observations_unique": 12233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.478
},
{
"type": "R(meas)",
"value": 0.569
},
{
"type": "I/SigI",
"value": 2.770
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [1.980,1.850],
"number_observations": 38411,
"number_observations_unique": 11876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 4.950
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.140,1.980],
"number_observations": 35795,
"number_observations_unique": 11040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 8.140
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.340,2.140],
"number_observations": 32962,
"number_observations_unique": 10165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.620,2.340],
"number_observations": 29656,
"number_observations_unique": 9187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 16.050
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.020,2.620],
"number_observations": 25916,
"number_observations_unique": 8094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 21.740
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [3.690,3.020],
"number_observations": 21167,
"number_observations_unique": 6773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 28.940
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [5.210,3.690],
"number_observations": 16347,
"number_observations_unique": 5301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 35.220
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [50.0,5.210],
"number_observations": 9222,
"number_observations_unique": 2953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 36.270
},
{
"type": "Completeness",
"value": 96.800
}
]
}
]
}