Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f0d10a56dda5f4c2c060a839571b6d3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.805,
"b": 70.885,
"c": 125.433,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99987],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.971,1.2],
"number_observations": 613035,
"number_observations_unique": 142564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.200],
"number_observations": 74193,
"number_observations_unique": 19182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.612
},
{
"type": "R(pim)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.340,1.260],
"number_observations": 81019,
"number_observations_unique": 19391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "R(pim)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.430,1.340],
"number_observations": 74270,
"number_observations_unique": 18458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(pim)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.550,1.430],
"number_observations": 77553,
"number_observations_unique": 17369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.690,1.550],
"number_observations": 71107,
"number_observations_unique": 16096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [1.890,1.690],
"number_observations": 67025,
"number_observations_unique": 14607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.190,1.890],
"number_observations": 60088,
"number_observations_unique": 12945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.680,2.190],
"number_observations": 47598,
"number_observations_unique": 10972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.780,2.680],
"number_observations": 39089,
"number_observations_unique": 8618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [46.971,3.780],
"number_observations": 21093,
"number_observations_unique": 4926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.300
}
]
}
]
}