Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f0f27d8900d2de1cea9774ae49af452",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 56.822,
"b": 56.822,
"c": 159.608,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.81500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.822,1.950],
"number_observations_unique": 19979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.06,1.95],
"number_observations": 40195,
"number_observations_unique": 2830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.537
},
{
"type": "R(meas)",
"value": 0.57
},
{
"type": "R(pim)",
"value": 0.15
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.20
}
]
},
{
"resolution_limits": [2.18,2.06],
"number_observations": 38622,
"number_observations_unique": 2693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "R(meas)",
"value": 0.40
},
{
"type": "R(pim)",
"value": 0.10
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.30
}
]
},
{
"resolution_limits": [2.33,2.18],
"number_observations": 36065,
"number_observations_unique": 2518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.29
},
{
"type": "R(pim)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.30
}
]
},
{
"resolution_limits": [2.52,2.33],
"number_observations": 34055,
"number_observations_unique": 2390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.22
},
{
"type": "R(pim)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.20
}
]
},
{
"resolution_limits": [2.76,2.52],
"number_observations": 31387,
"number_observations_unique": 2212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.15
},
{
"type": "R(pim)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.20
}
]
},
{
"resolution_limits": [3.08,2.76],
"number_observations": 28306,
"number_observations_unique": 2007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.09
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.10
}
]
},
{
"resolution_limits": [3.56,3.08],
"number_observations": 24978,
"number_observations_unique": 1789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.00
}
]
},
{
"resolution_limits": [4.36,3.56],
"number_observations": 21326,
"number_observations_unique": 1554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.70
}
]
},
{
"resolution_limits": [6.17,4.36],
"number_observations": 16324,
"number_observations_unique": 1228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 15.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.30
}
]
},
{
"resolution_limits": [56.82,6.17],
"number_observations": 8319,
"number_observations_unique": 758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 11.00
}
]
}
]
}