Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84c0c20b8d8b5aba4da7b387f06d45f8",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 38.25,
"b": 52.12,
"c": 123.67,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91730],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [123.670,2.690],
"number_observations": 19790,
"number_observations_unique": 6814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.840,2.690],
"number_observations": 2431,
"number_observations_unique": 854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(pim)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 85.800
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [3.010,2.840],
"number_observations": 3052,
"number_observations_unique": 967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.220,3.010],
"number_observations": 2722,
"number_observations_unique": 903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [3.470,3.220],
"number_observations": 2563,
"number_observations_unique": 847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations": 2174,
"number_observations_unique": 785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations": 1664,
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations": 1847,
"number_observations_unique": 626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [6.020,4.910],
"number_observations": 1548,
"number_observations_unique": 539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [8.510,6.020],
"number_observations": 1050,
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [48.029,8.510],
"number_observations": 739,
"number_observations_unique": 272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.700
}
]
}
]
}