Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "946bc5179fd3b34074643953dc0ca3c2",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 86.4,
"b": 86.4,
"c": 147.2,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.513,2.200],
"number_observations_unique": 29076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.200],
"number_observations": 38287,
"number_observations_unique": 4147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(meas)",
"value": 0.731
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [2.460,2.320],
"number_observations": 36322,
"number_observations_unique": 3956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "R(pim)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [2.630,2.460],
"number_observations": 34088,
"number_observations_unique": 3716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [2.840,2.630],
"number_observations": 31693,
"number_observations_unique": 3473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [3.110,2.840],
"number_observations": 29174,
"number_observations_unique": 3220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [3.480,3.110],
"number_observations": 26114,
"number_observations_unique": 2923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [4.020,3.480],
"number_observations": 22878,
"number_observations_unique": 2598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.800
}
]
},
{
"resolution_limits": [4.920,4.020],
"number_observations": 18578,
"number_observations_unique": 2231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [6.960,4.920],
"number_observations": 14432,
"number_observations_unique": 1770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [42.667,6.960],
"number_observations": 8365,
"number_observations_unique": 1042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
}
]
}