Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c4977c13f31c5f420ee0f99dd7e4b547",
"space_group_name": "P 64 2 2",
"unit_cell": {
"a": 138.061,
"b": 138.061,
"c": 145.855,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [119.564,2.728],
"number_observations": 322542,
"number_observations_unique": 21928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.900,2.750],
"number_observations": 48450,
"number_observations_unique": 3104,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.804
},
{
"type": "R(meas)",
"value": 2.899
},
{
"type": "R(pim)",
"value": 0.731
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.600
}
]
},
{
"resolution_limits": [3.070,2.900],
"number_observations": 45857,
"number_observations_unique": 2975,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.431
},
{
"type": "R(meas)",
"value": 1.480
},
{
"type": "R(pim)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.400
}
]
},
{
"resolution_limits": [3.290,3.070],
"number_observations": 40026,
"number_observations_unique": 2800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.594
},
{
"type": "R(meas)",
"value": 0.616
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
}
]
},
{
"resolution_limits": [3.550,3.290],
"number_observations": 37964,
"number_observations_unique": 2613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.500
}
]
},
{
"resolution_limits": [3.890,3.550],
"number_observations": 37203,
"number_observations_unique": 2422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.400
}
]
},
{
"resolution_limits": [4.350,3.890],
"number_observations": 31273,
"number_observations_unique": 2206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [5.020,4.350],
"number_observations": 29392,
"number_observations_unique": 1968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.900
}
]
},
{
"resolution_limits": [6.150,5.020],
"number_observations": 24426,
"number_observations_unique": 1684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.500
}
]
},
{
"resolution_limits": [8.700,6.150],
"number_observations": 18369,
"number_observations_unique": 1350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
}
]
},
{
"resolution_limits": [43.167,8.700],
"number_observations": 9582,
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.900
}
]
}
]
}