Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "74d42475dd4f7b6d0773c003e04821de",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 110.794,
"b": 151.235,
"c": 96.388,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.03,1.75],
"number_observations": 722159,
"number_observations_unique": 160940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.750],
"number_observations": 104344,
"number_observations_unique": 23455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.770
},
{
"type": "R(pim)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [1.960,1.840],
"number_observations": 98418,
"number_observations_unique": 22291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.485
},
{
"type": "R(pim)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.090,1.960],
"number_observations": 94332,
"number_observations_unique": 20908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.260,2.090],
"number_observations": 87516,
"number_observations_unique": 19434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.470,2.260],
"number_observations": 80806,
"number_observations_unique": 17900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.770,2.470],
"number_observations": 73270,
"number_observations_unique": 16162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [3.200,2.770],
"number_observations": 64898,
"number_observations_unique": 14306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [3.910,3.200],
"number_observations": 53726,
"number_observations_unique": 11924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [5.530,3.910],
"number_observations": 41854,
"number_observations_unique": 9337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 21.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [45.885,5.530],
"number_observations": 22995,
"number_observations_unique": 5223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.400
}
]
}
]
}