Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a5b6df6a1571efb22754bd6bbe6a3e49",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 438.23,
"b": 289.33,
"c": 305.47,
"alpha": 90.00,
"beta": 98.95,
"gamma": 90.00
},
"wavelengths": [1.14800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [190.477,3.250],
"number_observations": 9652670,
"number_observations_unique": 1176614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "R(meas)",
"value": 0.434
},
{
"type": "I/SigI",
"value": 6.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.2
}
]
},
"refln_shells": [
{
"resolution_limits": [3.300,3.250],
"number_observations": 363932,
"number_observations_unique": 52321,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.179
},
{
"type": "R(meas)",
"value": 2.356
},
{
"type": "I/SigI",
"value": 0.980
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.400,3.300],
"number_observations": 655075,
"number_observations_unique": 96114,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.787
},
{
"type": "R(meas)",
"value": 1.936
},
{
"type": "I/SigI",
"value": 1.180
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.500,3.400],
"number_observations": 610554,
"number_observations_unique": 85319,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.395
},
{
"type": "R(meas)",
"value": 1.505
},
{
"type": "I/SigI",
"value": 1.540
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 2166201,
"number_observations_unique": 310431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.758
},
{
"type": "R(meas)",
"value": 0.819
},
{
"type": "I/SigI",
"value": 2.760
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 2146137,
"number_observations_unique": 307842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 6.320
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.000,5.000],
"number_observations": 3118576,
"number_observations_unique": 283507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.481
},
{
"type": "R(meas)",
"value": 0.500
},
{
"type": "I/SigI",
"value": 12.190
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50.000,10.000],
"number_observations": 589548,
"number_observations_unique": 40737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 23.190
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [100.000,50.000],
"number_observations": 2525,
"number_observations_unique": 304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 29.040
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [150.000,100.000],
"number_observations": 89,
"number_observations_unique": 32,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 5.820
},
{
"type": "Completeness",
"value": 88.900
}
]
},
{
"resolution_limits": [175.000,150.000],
"number_observations": 15,
"number_observations_unique": 4,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.994
},
{
"type": "R(meas)",
"value": 1.180
},
{
"type": "I/SigI",
"value": 2.760
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [190.477,175.000],
"number_observations": 18,
"number_observations_unique": 3,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.530
},
{
"type": "R(meas)",
"value": 1.688
},
{
"type": "I/SigI",
"value": 1.160
},
{
"type": "Completeness",
"value": 30.000
}
]
}
]
}