Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "39260c0f59812dc3d3df696da3169726",
"space_group_name": "P 1",
"unit_cell": {
"a": 71.66,
"b": 98.53,
"c": 142.53,
"alpha": 102.13,
"beta": 97.94,
"gamma": 106.11
},
"wavelengths": [0.92010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.960,2.620],
"number_observations": 213566,
"number_observations_unique": 104121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 9.350
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.051
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.620],
"number_observations": 16309,
"number_observations_unique": 7718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.523
},
{
"type": "R(meas)",
"value": 0.711
},
{
"type": "I/SigI",
"value": 1.680
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.113
},
{
"type": "CC(1/2)",
"value": 0.688
}
]
},
{
"resolution_limits": [2.760,2.690],
"number_observations": 16002,
"number_observations_unique": 7569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(meas)",
"value": 0.583
},
{
"type": "I/SigI",
"value": 2.030
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.114
},
{
"type": "CC(1/2)",
"value": 0.763
}
]
},
{
"resolution_limits": [2.840,2.760],
"number_observations": 15447,
"number_observations_unique": 7309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "R(meas)",
"value": 0.476
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.113
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [2.930,2.840],
"number_observations": 14818,
"number_observations_unique": 7086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "R(meas)",
"value": 0.406
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 2.091
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [3.030,2.930],
"number_observations": 14407,
"number_observations_unique": 6894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 3.560
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.090
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [3.130,3.030],
"number_observations": 14052,
"number_observations_unique": 6685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 4.440
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.102
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [3.250,3.130],
"number_observations": 13403,
"number_observations_unique": 6494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 5.270
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.064
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [3.380,3.250],
"number_observations": 12781,
"number_observations_unique": 6121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 6.720
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 2.088
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.530,3.380],
"number_observations": 11879,
"number_observations_unique": 5872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 8.120
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.023
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.710,3.530],
"number_observations": 11237,
"number_observations_unique": 5602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 10.290
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.006
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.910,3.710],
"number_observations": 10353,
"number_observations_unique": 5352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 11.840
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 1.934
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.140,3.910],
"number_observations": 9035,
"number_observations_unique": 5087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 1.776
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.430,4.140],
"number_observations": 8823,
"number_observations_unique": 4765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 16.340
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 1.852
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.780,4.430],
"number_observations": 8392,
"number_observations_unique": 4427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 18.310
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 1.896
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.240,4.780],
"number_observations": 8184,
"number_observations_unique": 4072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 18.980
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.010
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.860,5.240],
"number_observations": 8172,
"number_observations_unique": 3717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 18.090
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.199
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.760,5.860],
"number_observations": 7215,
"number_observations_unique": 3294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 18.960
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 2.190
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [8.290,6.760],
"number_observations": 6050,
"number_observations_unique": 2765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 23.950
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.188
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [11.720,8.290],
"number_observations": 4650,
"number_observations_unique": 2150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 33.140
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.163
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [58.960,11.720],
"number_observations": 2357,
"number_observations_unique": 1142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 33.080
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.064
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}