Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5dee39b1dc4f1fd93469da8f8dce385f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.349,
"b": 73.532,
"c": 63.344,
"alpha": 90.00,
"beta": 105.17,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.136,1.120],
"number_observations": 808121,
"number_observations_unique": 173728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.180,1.120],
"number_observations": 88952,
"number_observations_unique": 25207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.250,1.180],
"number_observations": 85832,
"number_observations_unique": 23974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.340,1.250],
"number_observations": 81445,
"number_observations_unique": 22515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.450,1.340],
"number_observations": 76501,
"number_observations_unique": 20946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.580,1.450],
"number_observations": 71088,
"number_observations_unique": 19276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.770,1.580],
"number_observations": 70655,
"number_observations_unique": 17504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.050,1.770],
"number_observations": 115814,
"number_observations_unique": 15448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.510,2.050],
"number_observations": 97722,
"number_observations_unique": 13064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [3.540,2.510],
"number_observations": 77611,
"number_observations_unique": 10158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [47.010,3.540],
"number_observations": 42501,
"number_observations_unique": 5636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
}
]
}