Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1a564bab7863870ac38f6b5708b17e1d",
"space_group_name": "P 1",
"unit_cell": {
"a": 43.24,
"b": 45.94,
"c": 65.99,
"alpha": 76.84,
"beta": 75.58,
"gamma": 69.07
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.155,2.005],
"number_observations": 111449,
"number_observations_unique": 28415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.010],
"number_observations": 15470,
"number_observations_unique": 3964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.276
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.240,2.110],
"number_observations": 15140,
"number_observations_unique": 3851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.400,2.240],
"number_observations": 14476,
"number_observations_unique": 3683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.590,2.400],
"number_observations": 13384,
"number_observations_unique": 3401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.840,2.590],
"number_observations": 12531,
"number_observations_unique": 3187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.170,2.840],
"number_observations": 11453,
"number_observations_unique": 2915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.660,3.170],
"number_observations": 10103,
"number_observations_unique": 2577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.480,3.660],
"number_observations": 8542,
"number_observations_unique": 2184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [6.340,4.480],
"number_observations": 6730,
"number_observations_unique": 1724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [42.401,6.340],
"number_observations": 3620,
"number_observations_unique": 929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
}
]
}