{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af06e7315c300d5cd513225abbd6ec3e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.37,
"b": 66.45,
"c": 137.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.840,2.200],
"number_observations_unique": 25641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.200],
"number_observations": 12593,
"number_observations_unique": 3688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "R(meas)",
"value": 0.586
},
{
"type": "R(pim)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.460,2.320],
"number_observations": 11998,
"number_observations_unique": 3490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.448
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.630,2.460],
"number_observations": 11288,
"number_observations_unique": 3259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.840,2.630],
"number_observations": 10675,
"number_observations_unique": 3085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.110,2.840],
"number_observations": 9850,
"number_observations_unique": 2831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.480,3.110],
"number_observations": 8946,
"number_observations_unique": 2576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.020,3.480],
"number_observations": 7899,
"number_observations_unique": 2283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.920,4.020],
"number_observations": 6822,
"number_observations_unique": 1983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [6.960,4.920],
"number_observations": 5232,
"number_observations_unique": 1547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 23.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [28.206,6.960],
"number_observations": 2840,
"number_observations_unique": 899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 30.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.200
}
]
}
]
}
|