Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a2ea1b2a8e66ccc33fdf921d0b7675c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.340,
"b": 72.830,
"c": 52.877,
"alpha": 90.00,
"beta": 109.88,
"gamma": 90.00
},
"wavelengths": [0.89500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.639,1.280],
"number_observations": 341800,
"number_observations_unique": 82855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.125
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.280],
"number_observations": 54351,
"number_observations_unique": 13281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.570
},
{
"type": "R(meas)",
"value": 0.656
},
{
"type": "I/SigI",
"value": 2.480
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "CC(1/2)",
"value": 0.784
}
]
},
{
"resolution_limits": [1.450,1.360],
"number_observations": 51818,
"number_observations_unique": 12552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "R(meas)",
"value": 0.432
},
{
"type": "I/SigI",
"value": 3.790
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [1.570,1.450],
"number_observations": 48723,
"number_observations_unique": 11745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 6.070
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [1.720,1.570],
"number_observations": 44808,
"number_observations_unique": 10778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 9.550
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.920,1.720],
"number_observations": 40568,
"number_observations_unique": 9756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 17.060
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.210,1.920],
"number_observations": 35708,
"number_observations_unique": 8626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 30.380
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.710,2.210],
"number_observations": 30179,
"number_observations_unique": 7303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 40.810
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.830,2.710],
"number_observations": 23052,
"number_observations_unique": 5654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 58.290
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [42.639,3.830],
"number_observations": 12593,
"number_observations_unique": 3160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 70.370
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}