Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "719ba0854fef6df14509e29d4aee7894",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.270,
"b": 73.062,
"c": 52.674,
"alpha": 90.00,
"beta": 109.47,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.682,1.01],
"number_observations_unique": 164874,
"quality_factors": [
{
"type": "I/SigI",
"value": 8.410
},
{
"type": "Completeness",
"value": 97.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.07,1.01],
"number_observations": 152281,
"number_observations_unique": 27317,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.272
},
{
"type": "R(meas)",
"value": 2.481
},
{
"type": "I/SigI",
"value": 0.51
},
{
"type": "Completeness",
"value": 0.907
},
{
"type": "Redundancy",
"value": 5.57
},
{
"type": "CC(1/2)",
"value": 0.299
}
]
},
{
"resolution_limits": [1.14,1.07],
"number_observations": 173917,
"number_observations_unique": 25818,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.228
},
{
"type": "R(meas)",
"value": 1.326
},
{
"type": "I/SigI",
"value": 1.18
},
{
"type": "Completeness",
"value": 0.970
},
{
"type": "Redundancy",
"value": 6.74
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [1.23,1.14],
"number_observations": 161149,
"number_observations_unique": 23956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.789
},
{
"type": "R(meas)",
"value": 0.853
},
{
"type": "I/SigI",
"value": 2.02
},
{
"type": "Completeness",
"value": 0.977
},
{
"type": "Redundancy",
"value": 6.73
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [1.35,1.23],
"number_observations": 147630,
"number_observations_unique": 22043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.546
},
{
"type": "R(meas)",
"value": 0.592
},
{
"type": "I/SigI",
"value": 3.17
},
{
"type": "Completeness",
"value": 0.983
},
{
"type": "Redundancy",
"value": 6.70
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [1.51,1.35],
"number_observations": 130197,
"number_observations_unique": 19977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 6.02
},
{
"type": "Completeness",
"value": 0.987
},
{
"type": "Redundancy",
"value": 6.52
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [1.75,1.51],
"number_observations": 117411,
"number_observations_unique": 17635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 11.45
},
{
"type": "Completeness",
"value": 0.991
},
{
"type": "Redundancy",
"value": 6.66
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.14,1.75],
"number_observations": 106429,
"number_observations_unique": 14899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 21.62
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 7.14
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.02,2.14],
"number_observations": 81748,
"number_observations_unique": 11597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 30.09
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 7.05
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.00,3.02],
"number_observations": 45413,
"number_observations_unique": 6470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 37.59
},
{
"type": "Completeness",
"value": 0.996
},
{
"type": "Redundancy",
"value": 7.02
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}