Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a9b15dac569cb8c427b920e7a45cb155",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 118.89,
"b": 118.89,
"c": 319.55,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97881],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.605,3.51],
"number_observations_unique": 29454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 13.200
}
]
},
"refln_shells": [
{
"resolution_limits": [3.700,3.510],
"number_observations": 47935,
"number_observations_unique": 4077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.531
},
{
"type": "R(meas)",
"value": 0.555
},
{
"type": "R(pim)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [3.930,3.700],
"number_observations": 52966,
"number_observations_unique": 4012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "R(meas)",
"value": 0.346
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.200
}
]
},
{
"resolution_limits": [4.200,3.930],
"number_observations": 50840,
"number_observations_unique": 3768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 9.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
}
]
},
{
"resolution_limits": [4.530,4.200],
"number_observations": 48507,
"number_observations_unique": 3531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 14.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
}
]
},
{
"resolution_limits": [4.970,4.530],
"number_observations": 45672,
"number_observations_unique": 3278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 18.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
}
]
},
{
"resolution_limits": [5.550,4.970],
"number_observations": 41567,
"number_observations_unique": 2966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 20.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [6.410,5.550],
"number_observations": 36506,
"number_observations_unique": 2654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 23.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
{
"resolution_limits": [7.850,6.410],
"number_observations": 30217,
"number_observations_unique": 2284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 30.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
}
]
},
{
"resolution_limits": [11.110,7.850],
"number_observations": 23226,
"number_observations_unique": 1808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 43.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
}
]
},
{
"resolution_limits": [48.605,11.110],
"number_observations": 10533,
"number_observations_unique": 1076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 34.2
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 9.800
}
]
}
]
}