Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "80c47457433371ba2848c361faa998af",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.359,
"b": 72.846,
"c": 52.755,
"alpha": 90.00,
"beta": 109.56,
"gamma": 90.00
},
"wavelengths": [0.89460],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.741,1.400],
"number_observations": 262151,
"number_observations_unique": 62976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 22.510
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.162
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.400],
"number_observations": 40752,
"number_observations_unique": 10055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "R(meas)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 3.780
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [1.590,1.490],
"number_observations": 39248,
"number_observations_unique": 9544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [1.720,1.590],
"number_observations": 36982,
"number_observations_unique": 8888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 9.380
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.880,1.720],
"number_observations": 34536,
"number_observations_unique": 8221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.100,1.880],
"number_observations": 31211,
"number_observations_unique": 7415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 24.870
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.430,2.100],
"number_observations": 27705,
"number_observations_unique": 6549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 34.880
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.970,2.430],
"number_observations": 23478,
"number_observations_unique": 5549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 44.440
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.190,2.970],
"number_observations": 18182,
"number_observations_unique": 4320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 63.880
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [42.741,4.190],
"number_observations": 10057,
"number_observations_unique": 2435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 74.040
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}