Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a14a8abeb0fe1a539bcfa332b09d3648",
"space_group_name": "P 1",
"unit_cell": {
"a": 43.83,
"b": 100.07,
"c": 122.44,
"alpha": 96.91,
"beta": 98.31,
"gamma": 96.52
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [98.457,2.475],
"number_observations": 140157,
"number_observations_unique": 70968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.470],
"number_observations": 10379,
"number_observations_unique": 5183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.610,2.540],
"number_observations": 9941,
"number_observations_unique": 5154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "R(pim)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [2.680,2.610],
"number_observations": 9492,
"number_observations_unique": 4946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "R(pim)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [2.770,2.680],
"number_observations": 10073,
"number_observations_unique": 4869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(pim)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [2.860,2.770],
"number_observations": 9617,
"number_observations_unique": 4690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [2.960,2.860],
"number_observations": 9169,
"number_observations_unique": 4517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.070,2.960],
"number_observations": 8773,
"number_observations_unique": 4335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.190,3.070],
"number_observations": 8304,
"number_observations_unique": 4192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.340,3.190],
"number_observations": 7794,
"number_observations_unique": 4065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [3.500,3.340],
"number_observations": 6805,
"number_observations_unique": 3792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [3.690,3.500],
"number_observations": 7293,
"number_observations_unique": 3720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.910,3.690],
"number_observations": 6448,
"number_observations_unique": 3481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [4.180,3.910],
"number_observations": 6506,
"number_observations_unique": 3279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [4.520,4.180],
"number_observations": 6315,
"number_observations_unique": 3040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [4.950,4.520],
"number_observations": 5699,
"number_observations_unique": 2789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [5.530,4.950],
"number_observations": 5091,
"number_observations_unique": 2555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [6.390,5.530],
"number_observations": 4046,
"number_observations_unique": 2232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [7.830,6.390],
"number_observations": 3771,
"number_observations_unique": 1883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [11.070,7.830],
"number_observations": 3008,
"number_observations_unique": 1474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [98.457,11.070],
"number_observations": 1633,
"number_observations_unique": 772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.100
}
]
}
]
}