Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b1c3ab4a71ef724ccb22ca5ddeeb605b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.089,
"b": 81.873,
"c": 93.551,
"alpha": 90.00,
"beta": 108.39,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.39,1.65],
"number_observations": 519859,
"number_observations_unique": 75552,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 13.72
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.39,4.93],
"number_observations": 19632,
"number_observations_unique": 2926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 50.28
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 6.71
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.39,3.50],
"number_observations": 35950,
"number_observations_unique": 5224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 48.52
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.39,2.86],
"number_observations": 45538,
"number_observations_unique": 6693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 35.38
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.39,2.48],
"number_observations": 55328,
"number_observations_unique": 7908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 22.03
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.39,2.22],
"number_observations": 63658,
"number_observations_unique": 8938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 12.93
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.12
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [44.39,2.02],
"number_observations": 67515,
"number_observations_unique": 9876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 6.44
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [44.39,1.87],
"number_observations": 73667,
"number_observations_unique": 10727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.566
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "I/SigI",
"value": 2.72
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [44.39,1.75],
"number_observations": 79521,
"number_observations_unique": 11547,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.384
},
{
"type": "R(meas)",
"value": 1.496
},
{
"type": "I/SigI",
"value": 1.02
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.674
}
]
},
{
"resolution_limits": [44.39,1.65],
"number_observations": 79050,
"number_observations_unique": 11713,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.916
},
{
"type": "R(meas)",
"value": 3.158
},
{
"type": "I/SigI",
"value": 0.42
},
{
"type": "Completeness",
"value": 95.7
},
{
"type": "Redundancy",
"value": 6.75
},
{
"type": "CC(1/2)",
"value": 0.281
}
]
}
]
}