Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "263d4a1ffada1072851ea9f8c25c51a1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.296,
"b": 72.923,
"c": 52.797,
"alpha": 90.00,
"beta": 109.55,
"gamma": 90.00
},
"wavelengths": [0.89440],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.684,1.400],
"number_observations": 263535,
"number_observations_unique": 61968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 12.720
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.252
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.400],
"number_observations": 41655,
"number_observations_unique": 9722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.546
},
{
"type": "R(meas)",
"value": 0.624
},
{
"type": "I/SigI",
"value": 3.330
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [1.590,1.480],
"number_observations": 40120,
"number_observations_unique": 9332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(meas)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 4.840
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [1.710,1.590],
"number_observations": 37371,
"number_observations_unique": 8711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 6.750
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [1.880,1.710],
"number_observations": 34520,
"number_observations_unique": 8089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 9.970
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.100,1.880],
"number_observations": 31202,
"number_observations_unique": 7329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 15.080
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.420,2.100],
"number_observations": 27812,
"number_observations_unique": 6517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 19.490
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.960,2.420],
"number_observations": 23685,
"number_observations_unique": 5540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 23.490
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.180,2.960],
"number_observations": 18089,
"number_observations_unique": 4314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 29.770
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [42.684,4.180],
"number_observations": 9081,
"number_observations_unique": 2414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}