Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4dfe33b0e679c98b62d46b47e580cd55",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 80.152,
"b": 80.152,
"c": 323.940,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.903,1.969],
"number_observations": 523117,
"number_observations_unique": 44807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 26.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,1.969],
"number_observations": 56136,
"number_observations_unique": 6174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [2.200,2.080],
"number_observations": 78409,
"number_observations_unique": 6069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
}
]
},
{
"resolution_limits": [2.350,2.200],
"number_observations": 71179,
"number_observations_unique": 5753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [2.540,2.350],
"number_observations": 65972,
"number_observations_unique": 5343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
}
]
},
{
"resolution_limits": [2.780,2.540],
"number_observations": 61600,
"number_observations_unique": 4987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [3.110,2.780],
"number_observations": 52818,
"number_observations_unique": 4520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [3.590,3.110],
"number_observations": 47942,
"number_observations_unique": 4032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [4.400,3.590],
"number_observations": 39680,
"number_observations_unique": 3476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
{
"resolution_limits": [6.230,4.400],
"number_observations": 31430,
"number_observations_unique": 2766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
{
"resolution_limits": [38.903,6.230],
"number_observations": 17951,
"number_observations_unique": 1687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 20.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.600
}
]
}
]
}