Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f9fc35247980fcf018b34d52efaafd3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.601,
"b": 71.204,
"c": 119.935,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.82661],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [119.935,1.750],
"number_observations": 726651,
"number_observations_unique": 54897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.84,1.75],
"number_observations": 105824,
"number_observations_unique": 7917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "R(meas)",
"value": 0.44
},
{
"type": "R(pim)",
"value": 0.12
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.40
}
]
},
{
"resolution_limits": [1.96,1.84],
"number_observations": 100094,
"number_observations_unique": 7487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.28
},
{
"type": "R(pim)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.40
}
]
},
{
"resolution_limits": [2.09,1.96],
"number_observations": 93228,
"number_observations_unique": 7046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.19
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.20
}
]
},
{
"resolution_limits": [2.26,2.09],
"number_observations": 87265,
"number_observations_unique": 6574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "R(pim)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.30
}
]
},
{
"resolution_limits": [2.47,2.26],
"number_observations": 78633,
"number_observations_unique": 6065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.11
},
{
"type": "R(pim)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.00
}
]
},
{
"resolution_limits": [2.77,2.47],
"number_observations": 74027,
"number_observations_unique": 5519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.09
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.40
}
]
},
{
"resolution_limits": [3.20,2.77],
"number_observations": 66296,
"number_observations_unique": 4890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.60
}
]
},
{
"resolution_limits": [3.91,3.20],
"number_observations": 55458,
"number_observations_unique": 4192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 13.20
}
]
},
{
"resolution_limits": [5.53,3.91],
"number_observations": 43045,
"number_observations_unique": 3279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 13.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.10
}
]
},
{
"resolution_limits": [119.93,5.53],
"number_observations": 22781,
"number_observations_unique": 1928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.80
}
]
}
]
}