Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7985067751dada7c7939eedb99f60a07",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 87.740,
"b": 85.476,
"c": 93.504,
"alpha": 90.00,
"beta": 110.49,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.17,1.51],
"number_observations": 703890,
"number_observations_unique": 101410,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 15.00
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.94
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.17,4.50],
"number_observations": 27239,
"number_observations_unique": 3910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 50.34
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.97
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.17,3.19],
"number_observations": 48933,
"number_observations_unique": 6941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 47.39
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.05
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.17,2.61],
"number_observations": 63144,
"number_observations_unique": 8965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 35.58
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.04
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.17,2.26],
"number_observations": 75128,
"number_observations_unique": 10510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 25.63
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.15
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.17,2.02],
"number_observations": 82575,
"number_observations_unique": 11985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 16.22
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [44.17,1.85],
"number_observations": 90615,
"number_observations_unique": 13159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 8.48
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [44.17,1.71],
"number_observations": 98881,
"number_observations_unique": 14329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 3.95
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [44.17,1.60],
"number_observations": 106691,
"number_observations_unique": 15400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.907
},
{
"type": "R(meas)",
"value": 0.981
},
{
"type": "I/SigI",
"value": 1.91
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [44.17,1.51],
"number_observations": 110684,
"number_observations_unique": 16211,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.74
},
{
"type": "R(meas)",
"value": 1.883
},
{
"type": "I/SigI",
"value": 0.89
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.448
}
]
}
]
}