Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ae41415b12deb038ad1baaedd39160f0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.99,
"b": 76.88,
"c": 89.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.7,1.680],
"number_observations": 102541,
"number_observations_unique": 32312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 9.220
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.680],
"number_observations": 13178,
"number_observations_unique": 4546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(meas)",
"value": 0.514
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 84.500
}
]
},
{
"resolution_limits": [1.900,1.780],
"number_observations": 15992,
"number_observations_unique": 5021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "R(meas)",
"value": 0.500
},
{
"type": "I/SigI",
"value": 5.510
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [2.050,1.900],
"number_observations": 14979,
"number_observations_unique": 4641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "I/SigI",
"value": 7.180
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [2.250,2.050],
"number_observations": 14030,
"number_observations_unique": 4320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [2.510,2.250],
"number_observations": 12935,
"number_observations_unique": 3890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 10.160
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [2.900,2.510],
"number_observations": 11069,
"number_observations_unique": 3404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 11.470
},
{
"type": "Completeness",
"value": 96.200
}
]
},
{
"resolution_limits": [3.550,2.900],
"number_observations": 9077,
"number_observations_unique": 2892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 13.520
},
{
"type": "Completeness",
"value": 95.800
}
]
},
{
"resolution_limits": [5.000,3.550],
"number_observations": 7185,
"number_observations_unique": 2261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 16.780
},
{
"type": "Completeness",
"value": 94.700
}
]
},
{
"resolution_limits": [38.7,5.000],
"number_observations": 4096,
"number_observations_unique": 1337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 94.000
}
]
}
]
}